SCHEMBL6587487

SCHEMBL6587487

O=C(CC1(c2ccccc2)CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRMT3 O60678 1/20 0.48
PGR P06401 7/20 0.47
NR3C1 P04150 6/20 0.47
NR3C2 P08235 4/20 0.47
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.44
NPC1 O15118 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
SCHEMBL6586100 0.99 MAPT (0.53) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL6585718 0.97 MAPT (0.53) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL4000712 0.95 MAPT (0.55) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL6585839 0.79 PGR (0.62) MAPTKDM4EALDH1A1PRMT3PGR
SCHEMBL6556615 0.78 MAPT (0.54) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL6586035 0.75 PGR (0.64) MAPTKDM4EPGRNR3C1NR3C2
SCHEMBL3999113 0.74 MEN1 (0.48) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL5077894 0.74 MAPT (0.46) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL4184335 0.74 MAPT (0.57) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL6585630 0.73 NR3C1 (0.51) PGRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4304/4885ALDH1A1 540/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 MAPT 4055/4885KDM4E 4196/4885ALDH1A1 624/4885

“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.