SCHEMBL4661257

SCHEMBL4661257

COC(=O)C(Cl)(Cl)CCCCCCCC(CCc1ccc(Cl)cc1)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
GAA P10253 2/20 0.35
LTA4H P09960 1/20 0.35
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.34
FPR2 P25090 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MME P08473 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DPP4 P27487 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4659861 0.96 HDAC3 (0.38) MMP12GAALTA4HPPARAPPARG
SCHEMBL4661333 0.86 LMNA (0.39) MMP12GAAPPARAPPARGCNR1
SCHEMBL4662610 0.86 MME (0.35) GAAPPARAPPARGCYP1A2CYP2D6
SCHEMBL4661240 0.84 HTR1A (0.39) GAAPPARAPPARGCYP1A2CYP2D6
SCHEMBL4661128 0.82 HDAC3 (0.48) GAAPPARACYP1A2CYP2D6CYP2C19
SCHEMBL4659864 0.81 HDAC3 (0.41) GAAPPARAPPARGCYP1A2CYP2D6
SCHEMBL4661171 0.81 MME (0.37) GAAPPARAPPARGCYP1A2CYP2D6
SCHEMBL4661293 0.80 MMP12 (0.46) MMP12GAALTA4HPPARAPPARG
SCHEMBL4659918 0.78 PPARA (0.38) PPARAPPARGCNR1FPR2KMT2A
SCHEMBL3673780 0.76 HDAC3 (0.43) CYP1A2CYP2D6CYP2C19CNR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND KOWA COMPANY, LTD. (JP) 2010-10-14 US disclosed
US-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND KOWA COMPANY, LTD. (JP) 2010-10-14 US disclosed
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
EP-2003112-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND Kowa Company, Ltd. (JP) 2008-12-17 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 (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-20050009909-A1 Carboxylic compound and medicine comprising the same CPT1A, GPR119, PNLIP MMP12 1024/4885GAA 455/4885LTA4H 2218/4885
US-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND HCAR1, HAO1, HCAR2 MMP12 3990/4885GAA 997/4885LTA4H 1849/4885

“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.