SCHEMBL6585765

SCHEMBL6585765

CC(C)(CC(=O)C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.47
FEN1 P39748 3/20 0.47
KIF11 P52732 4/20 0.43
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
PKM P14618 2/20 0.41
CYP2C19 P33261 2/20 0.40
CTBP2 P56545 1/20 0.40
HIF1A Q16665 1/20 0.40
VNN1 O95497 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RIPK1 Q13546 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL15741697 0.87 CYP2C19 (0.50) ERCC5FEN1KIF11SCN5ASCN9A
SCHEMBL27454693 0.83 SCN5A (0.43) KIF11SCN5ASCN9APKMCYP2C19
SCHEMBL6946377 0.82 CYP2C19 (0.41) CYP2C19HIF1A
SCHEMBL3535049 0.81 CYP2C19 (0.53) ERCC5FEN1KIF11CYP2C19HIF1A
SCHEMBL6585600 0.81 KMT2A (0.40) KIF11CYP2C19HIF1AKDM4ERIPK1
SCHEMBL5643335 0.81 KCNN4 (0.47) KIF11CYP2C19HIF1ARIPK1
SCHEMBL3531218 0.80 MIF (0.52) ERCC5FEN1CYP2C19
SCHEMBL6585390 0.78 LMNA (0.46) ERCC5FEN1KIF11CTBP2KDM4E
SCHEMBL10876037 0.75 CYP19A1 (0.42) KIF11SCN5ASCN9APKMRIPK1
SCHEMBL25840100 0.75 GRIN2D (0.48) KIF11SCN5ASCN9APKMVNN1

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 ERCC5 2874/4885FEN1 3366/4885KIF11 4072/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 ERCC5 2684/4885FEN1 3799/4885KIF11 3985/4885

“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.