SCHEMBL6554492

SCHEMBL6554492

O=C(O)C(=O)CC1(c2ccccc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
DPP4 P27487 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL6585284 0.96 DPP4 (0.53) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL6583950 0.95 HSD11B1 (0.54) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL6583082 0.92 MAOA (0.50) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL625584 0.85 HSD11B1 (0.64) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL977926 0.81 HSD11B1 (0.69) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL5365797 0.79 HSD11B1 (0.72) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL11526870 0.78 HSD11B1 (0.70) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL2644998 0.78 DPP4 (0.53) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL4866308 0.78 DPP4 (0.58) LMNADPP4L3MBTL1SMN1; SMN2NPSR1
SCHEMBL1334115 0.77 HSD11B1 (0.51) LMNADPP4L3MBTL1SMN1; SMN2NPSR1

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 12 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
EP-1133486-B1 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AG (DE) 2004-12-22 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-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 WO 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 LMNA 1909/4885DPP4 4730/4885L3MBTL1 4661/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 LMNA 1792/4885DPP4 4708/4885L3MBTL1 4732/4885

“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.