SCHEMBL6554293

SCHEMBL6554293

COc1ccccc1C1(CC(=O)C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
APP P05067 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30040332 0.88 HTT (0.67) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL27687662 0.86 HTT (0.42) HTTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6555532 0.83 HTR2A (0.43) HTTKMT2AALDH1A1LMNAKDM4E
SCHEMBL30040158 0.82 HTT (0.64) HTTSIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL1262117 0.77 HDAC4 (0.35) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3534122 0.77 ALDH1A1 (0.39) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL3924576 0.76 HDAC4 (0.44) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2339483 0.74 SLC6A4 (0.47) HTTSIGMAR1KMT2AALDH1A1OPRM1
SCHEMBL34463017 0.74 SLC6A4 (0.47) HTTSIGMAR1KMT2AALDH1A1OPRM1
SCHEMBL6583082 0.73 MAOA (0.50) KMT2AMEN1ALDH1A1POLBLMNA

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 HTT 1685/4885SIGMAR1 161/4885KMT2A 2678/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 HTT 1838/4885SIGMAR1 168/4885KMT2A 2702/4885

“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.