SCHEMBL111999

SCHEMBL111999

Cc1cc(C)c(CN)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
HTR1D P28221 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1B P28222 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
Hydrochloric Acid SCHEMBL7894748 0.97 LMNA (0.42) HRH3HTR1DRAPGEF4LMNAALDH1A1
Carbamic Acid SCHEMBL28102259 0.86 LMNA (0.44) LMNAALDH1A1KDM4EGAAMAPT
SCHEMBL17888169 0.83 HTR1D (0.38) HRH3HTR1DRAPGEF4LMNAALDH1A1
SCHEMBL26566694 0.83 TSHR (0.38) HRH3HTR1DRAPGEF4LMNAALDH1A1
SCHEMBL5739986 0.83 SELL (0.44) HRH3HTR1DLMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29238261 0.81 LMNA (0.36) HRH3HTR1DRAPGEF4LMNAALDH1A1
Hydrochloric Acid SCHEMBL29197434 0.81 LMNA (0.36) HRH3HTR1DRAPGEF4LMNAALDH1A1
SCHEMBL15874052 0.80 HTR1D (0.38) HRH3HTR1D
SCHEMBL17442579 0.80 ALDH1A1 (0.43) HTR1DLMNAALDH1A1KDM4EMAPT
SCHEMBL9600773 0.79 CNR1 (0.34) HRH3HTR1DRAPGEF4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948646-A Super-wetting buffer oxide etching solution, preparation method and application thereof 浙江奥首材料科技有限公司 2023-10-27 CN claimed
CN-111704575-B Synthesis method of quinoline-2-thiocarboxamide compound under conditions of no catalyst and no additive 衡阳师范学院 2023-06-09 CN claimed
CN-111704575-A Method for synthesizing quinoline-2-thiocarbamide compound under conditions of no catalyst and no additive 衡阳师范学院 2020-09-25 CN claimed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US claimed
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 ELEXOPHARM GMBH (DE) 2016-11-03 US claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
US-12297176-B2 Compounds and methods for inhibiting EMT pathways to treat cancer, organ fibrosis and metabolic disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-05-13 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
EP-3559012-B1 METAL ORGANIC COMPOUNDS UMICORE AG & CO KG (DE) 2023-11-01 EP disclosed
CN-116948646-A Super-wetting buffer oxide etching solution, preparation method and application thereof 浙江奥首材料科技有限公司 2023-10-27 CN disclosed
CN-111704575-B Synthesis method of quinoline-2-thiocarboxamide compound under conditions of no catalyst and no additive 衡阳师范学院 2023-06-09 CN disclosed
US-20220017466-A1 COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-20 US disclosed
EP-0240890-B1 Prostacyclin (PGI2) analogues SHIONOGI & CO (JP) 1993-11-18 EP disclosed
US-4855449-A Prostacyclin (PGI2) analogues SHIONOGI & CO., LTD. (JP) 1989-08-08 US disclosed
US-4820836-A ANTICOAGULANTS, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1989-04-11 US disclosed
EP-0240890-A2 Prostacyclin (PGI2) analogues SHIONOGI & CO., LTD. (JP) 1987-10-14 EP disclosed
US-4312861-A Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 US disclosed
US-4241052-A ANTILEUKEMIC AND ANTICARCINOGENIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1980-12-23 US disclosed
US-3972773-A ENZYME PEPSIN SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-08-03 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 (4 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-12297176-B2 Compounds and methods for inhibiting EMT pathways to treat cancer, organ fibrosis and metabolic disorders HGF, SMAD3, HRAS HRH3 1079/4885HTR1D 4230/4885RAPGEF4 1247/4885
US-20160318895-A1 Inhibitors of 17Beta-Hydroxysteroid Dehydrogenases Type 1 and Type 2 HSD17B1, HSD17B2, HSD17B3 HRH3 3341/4885HTR1D 856/4885RAPGEF4 4401/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 HRH3 168/4885HTR1D 962/4885RAPGEF4 2643/4885
US-20220017466-A1 COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS HGF, SMAD3, HRAS HRH3 1079/4885HTR1D 4230/4885RAPGEF4 1247/4885

“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.