SCHEMBL6307341

SCHEMBL6307341

CCCC(C#N)(CC)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.45
GGPS1 O95749 7/20 0.36
SMPD1 P17405 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL98484 0.89 LMNA (0.39) FDPSGGPS1LPAR1LPAR3LMNA
SCHEMBL385677 0.71 LMNA (0.33) LMNA
SCHEMBL1238007 0.70 FDPS (0.37) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL10965541 0.69 ACHE (0.42) LPAR1LPAR3LMNA
SCHEMBL9459028 0.69 CASP1 (0.31)
SCHEMBL29155304 0.69 FDPS (0.36) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL1443715 0.69 FDPS (0.52) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL3895417 0.67 FDPS (0.56) FDPSGGPS1SMPD1LPAR1LPAR3
SCHEMBL11151927 0.67 FDPS (0.34) FDPSGGPS1LMNA
SCHEMBL27783191 0.67 FDPS (0.40) FDPSGGPS1SMPD1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3550321-A1 MATERIALS WITH HIGH DIELECTRIC CONSTANT FOR MAGNETIC RESONANCE IMAGING INSTRUMENTS Centre National de la Recherche Scientifique (CNRS) (FR) 2019-10-09 EP disclosed
US-9090539-B2 Compounds and methods for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds AMPAC FINE CHEMICALS LLC (US) 2015-07-28 US disclosed
US-20140350283-A1 Compounds and Methods for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds AMPAC FINE CHEMICALS LLC 2014-11-27 US disclosed
US-6855836-B2 17-Methylene steroids, process for their production and pharmaceutical compositions that contain these compounds JENAPHARM GMBH & CO. KG (DE) 2005-02-15 US disclosed
US-20020091112-A1 17-methylene steroids, process for their production and pharmaceutical compositions that contain these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-11 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US 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-20140350283-A1 Compounds and Methods for Preparing Substituted 3-(1-amino-2-methylpentane-3-yl)phenyl Compounds QDPR, SRMS, SPR FDPS 81/4885GGPS1 68/4885SMPD1 2835/4885
US-20020091112-A1 17-methylene steroids, process for their production and pharmaceutical compositions that contain these compounds CYP17A1, HSD17B11, CYP19A1 FDPS 111/4885GGPS1 141/4885SMPD1 1817/4885

“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.