SCHEMBL6586100

SCHEMBL6586100

O=C(CC1(c2ccccc2)CCCC1)C(=O)Nc1ccc2c(c1)COC2=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.49
PGR P06401 5/20 0.48
NR3C1 P04150 4/20 0.48
NR3C2 P08235 3/20 0.48
PRMT3 O60678 1/20 0.46
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
IMPDH2 P12268 1/20 0.44
ABCG2 Q9UNQ0 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
SCHEMBL6587487 0.99 MAPT (0.52) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL6585718 0.98 MAPT (0.53) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL4000712 0.96 MAPT (0.55) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL6556615 0.79 MAPT (0.54) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL6585839 0.77 PGR (0.62) MAPTKDM4EALDH1A1PGRNR3C1
SCHEMBL6586035 0.76 PGR (0.64) MAPTKDM4EPGRNR3C1NR3C2
SCHEMBL3999113 0.75 MEN1 (0.48) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL5077894 0.75 MAPT (0.46) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL4184335 0.74 MAPT (0.57) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL6554195 0.74 NR3C1 (0.53) MAPTKDM4EPOLBNPSR1ALDH1A1

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
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US claimed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-0986545-B1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AG (DE) 2004-12-29 EP disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 WO 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 MAPT 3996/4885KDM4E 4304/4885POLB 2946/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 MAPT 4055/4885KDM4E 4196/4885POLB 2727/4885

“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.