SCHEMBL6856486

SCHEMBL6856486

COc1cccc(CC[NH])c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ABCB1 P08183 4/20 0.53
ABCG2 Q9UNQ0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
MAPK1 P28482 1/20 0.46
CRHR2 Q13324 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL400747 0.84 IDO1 (0.50) CA12CA1CA2CA14ABCB1
SCHEMBL7281853 0.82 CA12 (0.55) CA12CA1CA2CA14ABCB1
SCHEMBL1806246 0.82 TAAR1 (0.64) CA12CA1CA2CA14ABCB1
SCHEMBL17927284 0.81 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL151944 0.81 TAAR1 (0.69) CA12CA1CA2CA14ABCB1
SCHEMBL11226646 0.81 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL7746434 0.81 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL6236258 0.81 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL10501385 0.81 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL30839502 0.81 TAAR1 (0.69) CA12CA1CA2CA14ABCB1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 US disclosed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO disclosed
EP-0156224-B1 NOVEL BENZOXATHIIN DERIVATIVE, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION SUNTORY LIMITED (JP) 1990-11-28 EP disclosed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
EP-0156224-A2 Novel benzoxathiin derivative, process for preparing them and pharmaceutical composition SUNTORY LIMITED (JP) 1985-10-02 EP disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 CA12 2538/4885CA1 1912/4885CA2 3403/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS CA12 2200/4885CA1 1001/4885CA2 3928/4885

“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.