SCHEMBL1664270

SCHEMBL1664270

CCCCCCCCCCCCNC1CCCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
EPHX1 P07099 9/20 0.42
EPHX2 P34913 2/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 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
SCHEMBL17591686 0.98 S1PR1 (0.42) NAAAEPHX1EPHX2S1PR1S1PR3
SCHEMBL1460586 0.97 S1PR1 (0.40) NAAAEPHX1EPHX2S1PR1S1PR3
SCHEMBL9810899 0.92 CA1 (0.39) S1PR1S1PR3
SCHEMBL6243199 0.84 CA1 (0.42) EPHX1
SCHEMBL19306981 0.83 CCR2 (0.45) NAAA
SCHEMBL24820171 0.79 HTT (0.37)
SCHEMBL3434503 0.76 CCR2 (0.64) NAAA
SCHEMBL31488325 0.75 CCR2 (0.63) NAAAGNAI3GNAO1GNAI1
SCHEMBL21710335 0.73 CA1 (0.38) EPHX2
SCHEMBL10824300 0.73 TSHR (0.38) NAAAEPHX1EPHX2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693932-A4 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMA INC (US) 2000-06-14 EP claimed
EP-0693932-A1 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMACEUTICALS, INC. (US) 1996-01-31 EP claimed
WO-1994021271-A1 METHODS AND COMPOSITIONS FOR INDUCING PHASE SEPARATION OF EPITHELIAL LIPID BILAYERS CELLEGY PHARMACEUTICALS, INC. (US) 1994-09-29 WO claimed
US-20140336253-A1 COMPOSITION FOR TRANSDERMAL ADMINISTRATION OF RIVASTIGMINE TESA LABTEC GMBH (DE) 2014-11-13 US disclosed
EP-2780006-A1 COMPOSITION FOR TRANSDERMAL ADMINISTRATION OF RIVASTIGMINE tesa Labtec GmbH (DE) 2014-09-24 EP disclosed
WO-2014111790-A2 STABLE TRANSDERMAL PHARMACEUTICAL DRUG DELIVERY SYSTEM COMPRISING RIVASTIGMINE ZYDUS TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
WO-2014068600-A1 STABLE TRANSDERMAL PHARMACEUTICAL DRUG DELIVERY SYSTEM COMPRISING DICLOFENAC ZYDUS TECHNOLOGIES LIMITED (IN) 2014-05-08 WO disclosed
WO-2013072062-A1 COMPOSITION FOR TRANSDERMAL ADMINISTRATION OF RIVASTIGMINE LABTEC GMBH (DE) 2013-05-23 WO disclosed
EP-2594261-A1 Composition for transdermal administration of rivastigmine Labtec GmbH (DE) 2013-05-22 EP disclosed
US-20120225834-A1 OCULAR IONTOPHORESIS OF CHARGED MICELLES CONTAINING BIOACTIVE AGENTS EYEGATE PHARMACEUTICALS, INC. (US) 2012-09-06 US disclosed
EP-2482818-A1 POSITIVELY-CHARGED POLY (D,L-LACTIDE-CO-GLYCOLIDE) NANOPARTICLES AND FABRICATION METHODS OF THE SAME Eyegate Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-0465580-A1 USE OF MONOACYL PHOSPHOGLYCERIDES TO ENHANCE THE CORNEAL PENETRATION OF OPHTHALMIC DRUGS ALCON LABORATORIES, INC. (US) 1992-01-15 EP disclosed
EP-0444778-A1 Use of alkyl saccharides to enhance the penetration of drugs ALCON LABORATORIES, INC. (US) 1991-09-04 EP disclosed
WO-1990011079-A1 USE OF MONOACYL PHOSPHOGLYCERIDES TO ENHANCE THE CORNEAL PENETRATION OF OPHTHALMIC DRUGS ALCON LABORATORIES, INC. (US) 1990-10-04 WO disclosed
EP-0315219-A2 Pharmaceutical compositions SANDOZ AG (CH) 1989-05-10 EP disclosed
EP-0315217-A2 Pharmaceutical compositions SANDOZ AG (CH) 1989-05-10 EP disclosed
EP-0315218-A2 Pharmaceutical compositions SANDOZ AG (CH) 1989-05-10 EP disclosed
US-4743588-A Compositions and methods of enhancing transdermal and transmembrane penetration systemic agents ALLERGAN PHARMACEUTICALS, INC. (US) 1988-05-10 US disclosed
EP-0164998-A2 Compositions and methods of enhancing transdermal and transmembrane penetration of topical and systemic agents ALLERGAN, INC (US) 1985-12-18 EP disclosed
WO-1985003878-A1 PHARMACEUTICAL COMPOSITIONS SANDOZ AG (CH) 1985-09-12 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 (1 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-20120225834-A1 OCULAR IONTOPHORESIS OF CHARGED MICELLES CONTAINING BIOACTIVE AGENTS PLA2G2C, PHOSPHO1, ANXA11 NAAA 1417/4885EPHX1 1392/4885EPHX2 1388/4885

“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.