SCHEMBL6891346

SCHEMBL6891346

COc1ccc(CCS)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CA2 P00918 1/20 0.63
POLB P06746 1/20 0.61
CYP19A1 P11511 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
AOC3 Q16853 1/20 0.58
STAT3 P40763 1/20 0.56
MAPT P10636 1/20 0.54
ALDH1A1 P00352 1/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6986223 0.98 ATM (0.63) ATMKDM4ECA2POLBCYP19A1
SCHEMBL11225556 0.88 ATM (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL6985208 0.87 CALM1 (0.67) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.87 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.87 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10335393 0.85 CYP19A1 (0.81) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10343404 0.83 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL1486320 0.83 CA2 (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL30869991 0.83 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31208559 0.83 CA2 (0.68) ATMKDM4ECA2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
EP-0949927-B1 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-16 EP disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
EP-1208850-A1 PASTES WITH THE SUSTAINED RELEASE OF OSTEOGENESIS PROMOTER Takeda Chemical Industries, Ltd. (JP) 2002-05-29 EP disclosed
US-6355672-B1 BONE DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4181665-A INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1980-01-01 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 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 (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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 ATM 1464/4885KDM4E 2209/4885CA2 1053/4885
US-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 ATM 3654/4885KDM4E 2073/4885CA2 3480/4885

“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.