SCHEMBL4084299

SCHEMBL4084299

CCCCCC(C)(C)N=C=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.34
GGPS1 O95749 7/20 0.34
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL11040924 0.98 GGPS1 (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL9123282 0.98 GGPS1 (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL9800901 0.98 GGPS1 (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL11280542 0.98 GGPS1 (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL8819694 0.98 GGPS1 (0.38) FDPSGGPS1SMPD1CES2LPAR1
SCHEMBL11043523 0.93 FDPS (0.31) FDPS
SCHEMBL192803 0.91
SCHEMBL9322915 0.88 FFAR1 (0.31)
SCHEMBL10840235 0.88 FFAR1 (0.31)
SCHEMBL8763158 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 WO disclosed
EP-0025907-B1 HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed
US-4344891-A Halogenated tertiary alkyl isocyanates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0025907-A1 Halogenated tertiary alkyl isocyanates and process for their preparation BASF Aktiengesellschaft (DE) 1981-04-01 EP 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-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 FDPS 290/4885GGPS1 188/4885SMPD1 1349/4885

“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.