SCHEMBL3436081

SCHEMBL3436081

CCC(C)(C)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ HRH3 Q9Y5N1 13/20 0.47
▸ MAOB P27338 8/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ AOC3 Q16853 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13178590 0.90 NPC1 (0.51) NPC1RAB9AMAPTCA12CA1
SCHEMBL12425216 0.90 NPC1 (0.51) NPC1RAB9AMAPTCA12CA1
SCHEMBL14421372 0.86 LMNA (0.55) NPC1RAB9AMAPTCA1CA2
SCHEMBL14421289 0.86 PKM (0.63) NPC1RAB9AMAPTCA1CA2
SCHEMBL17973760 0.84 ACHE (0.48) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL8764585 0.84 NPC1 (0.62) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL128091 0.84 NPC1 (0.81) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL14099148 0.83 ALDH1A1 (0.74) NPC1RAB9AMAPTCA1CA2
SCHEMBL6810964 0.83 ALDH1A1 (0.51) NPC1RAB9AMAPTCA12CA1
SCHEMBL779443 0.83 NPC1 (0.58) NPC1RAB9AMAPTHRH3MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490291-B1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2014-12-03 — — EP claimed
EP-2490291-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2012-08-22 — — EP claimed
US-20120183846-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES, LTD. (JP) 2012-07-19 — — US claimed
US-20250002435-A1 ARYLATED FENCHONE DERIVATIVES, COMPOSITIONS COMPRISING THEM, PROCESSES FOR THEIR PREPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2025-01-02 — — US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 — — US disclosed
WO-2023241950-A1 MIXTURES OF COMPOUNDS HAVING IMPROVED SOLUBILITY FOR USE AS MARKERS BASF SE (DE) 2023-12-21 — — WO disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME SPARK BIOPHARM, INC. (KR) 2020-06-18 — — US disclosed
US-10618914-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-04-14 — — US disclosed
US-20190100535-A1 6-ARYL-7-SUBSTITUTED-3-(1H-PYRAZOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AS INHIBITORS OF THE STAT3 PATHWAY WITH ANTI-PROLIFERATIVE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCTION (US) 2019-04-04 — — US disclosed
US-20180210338-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-26 — — US disclosed
US-4766241-A LOWER ACUTE TOXICITY HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-23 — — US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 — — EP disclosed
CN-86104070-A LIGHT-SENSITIVE SILVER HALIDE PHOTOGRAPHIC MATERIAL — 1986-12-24 — — CN disclosed
EP-0088345-B1 2-AMINOMETHYL-6-SULFAMOYLPHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 — — EP disclosed
US-4607030-A ANTIEDEMICS, HYPOTENSIVES HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 — — US disclosed
EP-0088346-B1 2-AMINOMETHYL-PHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-05 — — EP disclosed
EP-0088345-A2 2-Aminomethyl-6-sulfamoylphenol derivatives, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-14 — — EP disclosed
EP-0088346-A2 2-Aminomethyl-phenol derivatives, process for their preparation, their use and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-14 — — EP disclosed
US-4246176-A Synthesis of 5-aroyl-1-hydrocarbylpyrrole-2-acetic acid ETHYL CORPORATION (US) 1981-01-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250002435-A1 ARYLATED FENCHONE DERIVATIVES, COMPOSITIONS COMPRISING THEM, PROCESSES FOR THEIR PREPARATION AND USES THEREOF CYP4F2, CYP4F8, CYP4F3 NPC1 374/4885RAB9A 3525/4885MAPT 3596/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 NPC1 434/4885RAB9A 2105/4885MAPT 1147/4885
US-20190100535-A1 6-ARYL-7-SUBSTITUTED-3-(1H-PYRAZOL-5-YL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AS INHIBITORS OF THE STAT3 PATHWAY WITH ANTI-PROLIFERATIVE ACTIVITY STAT3, STAT1, STAT5A NPC1 3995/4885RAB9A 3504/4885MAPT 4625/4885
US-10618914-B2 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity STAT3, STAT1, STAT5A NPC1 3995/4885RAB9A 3504/4885MAPT 4625/4885
US-20200190099-A1 NOVEL PYRIMIDINE DERIVATIVE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION PROCESS THEREOF, AND PHARMACEUTICAL COMPOSITION USING THE SAME DPYD, NUDT1, NUDT5 NPC1 1457/4885RAB9A 1479/4885MAPT 2354/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 NPC1 518/4885RAB9A 2260/4885MAPT 1594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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