SCHEMBL4662629

SCHEMBL4662629

COC(=O)C(Cl)(Cl)CCCCCCCC/C=C/c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
PTGS2 P35354 1/20 0.42
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL4662611 1.00 CYP1A2 (0.47) CYP1A2PTGS2PPARANPC1ALDH1A1
SCHEMBL9465134 0.79 PTGS2 (0.52) CYP1A2PTGS2ALDH1A1LMNAMAPT
SCHEMBL9465136 0.79 PTGS2 (0.52) CYP1A2PTGS2ALDH1A1LMNAMAPT
SCHEMBL4661128 0.77 HDAC3 (0.48) CYP1A2PPARAALDH1A1CYP2D6CYP2C19
SCHEMBL29260522 0.75 PTGS2 (0.55) CYP1A2PTGS2NPC1ALDH1A1LMNA
SCHEMBL4659908 0.75 HDAC8 (0.45) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL4659891 0.74 GAA (0.47) CYP1A2MEN1KMT2A
SCHEMBL4659918 0.73 PPARA (0.38) PPARAALDH1A1KMT2ANOS2
SCHEMBL4661260 0.73 VNN1 (0.44) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL2378111 0.72 HDAC1 (0.46) CYP1A2PPARAALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP disclosed
US-20050009909-A1 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2005-01-13 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 (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-20050009909-A1 Carboxylic compound and medicine comprising the same CPT1A, GPR119, PNLIP CYP1A2 1111/4885PTGS2 1722/4885PPARA 68/4885

“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.