SCHEMBL6583950

SCHEMBL6583950

O=C(O)C(=O)CC1(c2ccccc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
DPP4 P27487 1/20 0.52
LMNA P02545 7/20 0.51
SLC6A4 P31645 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKR1C1 Q04828 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC4 P56524 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6585284 0.98 DPP4 (0.53) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL6554492 0.95 LMNA (0.49) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL6583082 0.91 MAOA (0.50) HSD11B1DPP4LMNAL3MBTL1SMN1; SMN2
SCHEMBL5365797 0.85 HSD11B1 (0.72) HSD11B1DPP4LMNASLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL11526870 0.84 HSD11B1 (0.70) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL977926 0.83 HSD11B1 (0.69) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL1334115 0.83 HSD11B1 (0.51) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL11611383 0.82 SLC6A4 (0.54) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL17761202 0.82 DPP4 (0.56) HSD11B1DPP4LMNASLC6A4L3MBTL1
SCHEMBL2644998 0.80 DPP4 (0.53) HSD11B1DPP4LMNASLC6A4L3MBTL1

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 HSD11B1 175/4885DPP4 4730/4885LMNA 1909/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 HSD11B1 189/4885DPP4 4708/4885LMNA 1792/4885

“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.