SCHEMBL1305495

SCHEMBL1305495

COc1ccc(C(N)C(N)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 4/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
SLC6A4 P31645 1/20 0.50
CYP3A4 P08684 1/20 0.50
AOC3 Q16853 3/20 0.48
SLC2A1 P11166 1/20 0.48
ACHE P22303 2/20 0.48
MAOA P21397 2/20 0.45

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
SCHEMBL591062 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1900477 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL1900910 1.00 CA1 (0.58) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL14119724 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL19951722 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL30098259 0.97 CYP1A2 (0.55) CA1CA2CA7CA9CA12
SCHEMBL3253569 0.91 DPP4 (0.61) CA1CA2CA7CA9CA12
SCHEMBL10868139 0.91 TDP1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL10866506 0.91 TDP1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL13298408 0.91 DPP4 (0.61) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
JP-5018977-A None JP disclosed
CN-115023457-B (Poly) rotaxane and method for producing same, curable composition, cured product, article, and composition 株式会社ASM 2024-09-24 CN disclosed
CN-115023457-A (Poly) rotaxane, method for producing same, curable composition, cured product, article, and composition 株式会社ASM 2022-09-06 CN disclosed
CN-112663168-B Spandex fiber with reversible shape memory effect and preparation method and application thereof 五邑大学 2022-07-19 CN disclosed
CN-112962165-B Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 五邑大学 2022-07-05 CN disclosed
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
EP-3950672-A1 METHOD FOR PRODUCING PKROSTAGLANDIN Kyowa Pharma Chemical Co., Ltd. (JP) 2022-02-09 EP disclosed
WO-2021223156-A1 DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-11-11 WO disclosed
US-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-29 US disclosed
EP-0116955-B1 COMPLEXES OF (1,2-DIPHENYL-ETHYLENE DIAMINE) PLATINUM (II) Degussa Aktiengesellschaft (DE) 1987-05-20 EP disclosed
EP-0193055-A1 Antitumorals(1,2-diphenyl-ethylene diamine)-platinum (II) complexes ASTA Pharma AG (DE) 1986-09-03 EP disclosed
US-4598091-A (1,2-diphenyl)-ethylenediamine)-platinum (II) complex compounds DEGUSSA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0045081-B1 TRISUBSTITUTED IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE CIBA-GEIGY AG (CH) 1986-01-08 EP disclosed
EP-0116955-A2 Complexes of (1,2-diphenyl-ethylene diamine) platinum (II) Degussa Aktiengesellschaft (DE) 1984-08-29 EP disclosed
US-4447431-A VIRICIDES, ANTIINFLAMMATORY AND SUNCREEN AGENT CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4353918-A ANTIINFLAMMATORY, ANTIRHEUMATIC CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
EP-0046451-A2 Diaryl-imidazole compounds, methods for their preparation, pharmaceutical drugs containing them and their use CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed
EP-0045081-A2 Trisubstituted imidazole derivatives, processes for preparing them, pharmaceutical compositions containing them, and their use CIBA-GEIGY AG (CH) 1982-02-03 EP 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 (2 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-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions SOD1, YWHAZ, L1CAM CA1 161/4885CA2 172/4885CA7 1107/4885
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 CA1 2612/4885CA2 1309/4885CA7 2998/4885

“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.