SCHEMBL466671

SCHEMBL466671

C=C(C)CCCCCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SQLE Q14534 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL466592 1.00 GPR84 (0.43) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL466721 1.00 GPR84 (0.43) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL466548 1.00
SCHEMBL466959 1.00 GPR84 (0.43) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL466782 0.97
SCHEMBL466793 0.88
SCHEMBL27605472 0.87 TDP1 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL8466765 0.87 TDP1 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL25978438 0.87 TDP1 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL4797472 0.87 TDP1 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850050-B1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2018-12-12 EP disclosed
US-9193651-B2 Process for the chemoselective reduction of terminally saturated carboxylic esters GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-9193651-B2 Process for the chemoselective reduction of terminally saturated carboxylic esters GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-9193651-B2 Process for the chemoselective reduction of terminally saturated carboxylic esters GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2015-06-04 US disclosed
US-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2015-06-04 US disclosed
US-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2015-06-04 US disclosed
EP-2850050-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS Givaudan SA (CH) 2015-03-25 EP disclosed
US-8877857-B2 Polar group-containing copolymer, rubber composition and studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-11-04 US disclosed
EP-2404944-B1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
WO-2013171302-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS GIVAUDAN SA (CH) 2013-11-21 WO disclosed
WO-2012060387-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT アリジェン製薬株式会社 (JP) 2012-05-10 WO disclosed
US-20120095153-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
EP-2404944-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE Sumitomo Rubber Industries, Ltd. (JP) 2012-01-11 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-20150152029-A1 PROCESS FOR THE CHEMOSELECTIVE REDUCTION OF TERMINALLY SATURATED CARBOXYLIC ESTERS ADH5, ADH1A, ADH1C GPR84 2067/4885FFAR1 136/4885FFAR4 58/4885

“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.