SCHEMBL6583082

SCHEMBL6583082

O=C(O)C(=O)CC1(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
TSHR P16473 1/20 0.44
LMNA P02545 4/20 0.44
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP4 P27487 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HSD11B1 P28845 2/20 0.42
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL6554492 0.92 LMNA (0.49) MAOAMAOBTAAR1TSHRLMNA
SCHEMBL6585284 0.92 DPP4 (0.53) LMNASMN1; SMN2L3MBTL1NPSR1DPP4
SCHEMBL6583950 0.91 HSD11B1 (0.54) LMNASMN1; SMN2L3MBTL1NPSR1DPP4
SCHEMBL1361875 0.83 TSHR (0.58) MAOAMAOBTAAR1TSHRLMNA
SCHEMBL8070728 0.83 MAOA (0.54) MAOAMAOBTAAR1TSHRLMNA
SCHEMBL4445397 0.78 MAOA (0.48) MAOAMAOBTAAR1TSHRLMNA
SCHEMBL5079244 0.78 SLC6A4 (0.52) OPRM1OPRL1
SCHEMBL3924576 0.77 HDAC4 (0.44) CNR1ERCC5FEN1ALDH1A1
SCHEMBL625584 0.76 HSD11B1 (0.64) TSHRLMNASMN1; SMN2L3MBTL1NPSR1
SCHEMBL977926 0.76 HSD11B1 (0.69) TSHRLMNASMN1; SMN2L3MBTL1NPSR1

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 MAOA 1857/4885MAOB 1190/4885TAAR1 136/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 MAOA 1750/4885MAOB 912/4885TAAR1 150/4885

“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.