SCHEMBL6213489

SCHEMBL6213489

COc1ccc(-c2ccc(C=O)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
ERN1 O75460 4/20 0.55
CYP2A6 P11509 3/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ALDH1A1 P00352 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 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
SCHEMBL207440 0.85 KDM4E (0.59) ERN1CYP2A6ALDH1A1KDM4ETUBB4A
SCHEMBL29501241 0.85 KDM4E (0.59) ERN1CYP2A6ALDH1A1KDM4ETUBB4A
SCHEMBL13568538 0.85 CYP11B1 (0.50) MKNK1MKNK2ERN1CYP2A6HSD17B1
SCHEMBL31174412 0.82 CYP2A6 (0.68) MKNK1MKNK2ERN1CYP2A6HSD17B1
SCHEMBL3754419 0.82 CYP2A6 (0.68) MKNK1MKNK2ERN1CYP2A6HSD17B1
SCHEMBL16180061 0.82 HSD17B1 (0.60) MKNK1MKNK2ERN1CYP2A6HSD17B1
SCHEMBL3935060 0.80 ERN1 (0.56) MKNK1MKNK2ERN1CYP2A6HSD17B1
SCHEMBL3728756 0.78 MKNK1 (0.56) MKNK1MKNK2ERN1HSD17B1HSD17B2
SCHEMBL3728757 0.78 MKNK1 (0.56) MKNK1MKNK2ERN1HSD17B1HSD17B2
SCHEMBL1422182 0.77 HSD17B1 (0.67) MKNK1MKNK2CYP2A6HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 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 (1 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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 MKNK1 3512/4885MKNK2 2780/4885ERN1 4321/4885

“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.