SCHEMBL3984615

SCHEMBL3984615

C=C(CCCCCCCCC)C(=C)C(=C)C(=C)C(=C)C(=C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
FAAH O00519 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SOAT1 P35610 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL1407233 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL5027330 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL27727796 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL5029026 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL123158 0.98 CES2 (0.43) CES2CES1FAAHMEN1KMT2A
SCHEMBL5038259 0.98 CES2 (0.46) CES2CES1FAAHMEN1KMT2A
SCHEMBL5031158 0.92 CES2 (0.48) CES2CES1FAAHMEN1KMT2A
SCHEMBL28557597 0.92 CES2 (0.48) CES2CES1FAAHMEN1KMT2A
SCHEMBL3738395 0.92 CES1 (0.41) CES2CES1FAAHMEN1KMT2A
SCHEMBL28374267 0.90 FAAH (0.62) FAAHMEN1KMT2ATP53CYP1A2

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716279-B2 Pharmaceutical compositions of clonazepam and method of use thereof Jazz Pharmaceuticals, Inc. (US) 2014-05-06 US claimed
US-8609651-B2 Pharmaceutical compositions of benzodiazepines and method of use thereof Jazz Pharmaceuticals, Inc. (US) 2013-12-17 US claimed
US-20080076761-A1 Pharmaceutical compositions of clonazepam and method of use thereof JAZZ PHARMACEUTICALS (US) 2008-03-27 US claimed
US-20080070904-A1 Pharmaceutical compositions of benzodiazepines and method of use thereof JAZZ PHARMACEUTICALS (US) 2008-03-20 US claimed
EP-1575617-A1 USE OF TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING AN ACTIVE AGENT AND PERMEATION-ENHANCING BASE FOR THE MANUFACTURE OF A MEDICAMENT TO TREAT VARIOUS FORMS OF INFLAMMATORY DERMATOSIS Dermatrends, Inc. (US) 2005-09-21 EP claimed
EP-1558228-A1 TOPICAL ADMINISTRATION OF BASIC ANTIFUNGAL COMPOSITIONS TO TREAT FUNGAL INFECTIONS OF THE NAILS Dermatrends, Inc. (US) 2005-08-03 EP claimed
EP-1556008-A1 USE OF BASES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF DIFFERENT FORMS OF INFLAMMATORY DERMATOSIS Dermatrends, Inc. (US) 2005-07-27 EP claimed
EP-1429791-A4 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING DERMATRENDS INC (US) 2005-01-05 EP claimed
US-6821523-B2 APPLYING BASIC DRUGS TO SKINS FOR PROPHYLAXIS OF HUMAN PAPILLOMAVIRUS INFECTIONS; SKIN DISODERS DERMATRENDS, INC. 2004-11-23 US claimed
EP-1429791-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING Dermatrends, Inc. (US) 2004-06-23 EP claimed
US-20030059450-A1 Method and topical formulation for treating skin conditions associated with aging MAIBACH HOWARD I (US) 2003-03-27 US claimed
EP-0290482-B1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR NARCOTIC ANALGESICS AND ANTAGONISTS AND PROCESS FOR ADMINISTRATION UNIV RUTGERS (US) 1995-03-08 EP claimed
EP-0480996-A1 BENZOPHENANTHRIDINE ALKALOIDS FOR TOPICAL ACNE TREATMENT ATRIX LABORATORIES, INC. (US) 1992-04-22 EP claimed
WO-1992000104-A1 MUCOSAL DELIVERY SYSTEMS FOR TREATMENT OF PERIODONTAL DISEASE ATRIX LABORATORIES, INC. (US) 1992-01-09 WO claimed
WO-1991000728-A1 BENZOPHENANTHRIDINE ALKALOIDS FOR TOPICAL ACNE TREATMENT ATRIX LABORATORIES, INC. (US) 1991-01-24 WO claimed
US-4975271-A Muscosal delivery systems for treatment of periodontal disease VIPONT PHARMACEUTICAL, INC. (US) 1990-12-04 US claimed
EP-0290482-A4 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR NARCOTIC ANALGESICS AND ANTAGONISTS AND PROCESS FOR ADMINISTRATION 1990-11-28 EP claimed
US-4806341-A BACKING LAYER, POLYMER MATRIX DISC WITH DRUG MICRODISPERSED THEREIN RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1989-02-21 US claimed
EP-0290482-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR NARCOTIC ANALGESICS AND ANTAGONISTS AND PROCESS FOR ADMINISTRATION. UNIV NEW JERSEY (US) 1988-11-17 EP claimed
WO-1988001497-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR NARCOTIC ANALGESICS AND ANTAGONISTS AND PROCESS FOR ADMINISTRATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1988-03-10 WO claimed

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-20080076761-A1 Pharmaceutical compositions of clonazepam and method of use thereof GABBR1, GABRA5, GABBR2 CES2 1225/4885CES1 1150/4885FAAH 793/4885
US-20080070904-A1 Pharmaceutical compositions of benzodiazepines and method of use thereof GABRA5, GABBR1, GABRA6 CES2 1206/4885CES1 1123/4885FAAH 533/4885

“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.