SCHEMBL3674094

SCHEMBL3674094

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ACLY P53396 8/20 0.40
TRPA1 O75762 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4662607 0.95 ACACB (0.45) ACACBACACAPPARGPPARAACLY
SCHEMBL4661274 0.88 ACACB (0.43) ACACBACACAPPARGPPARAACLY
SCHEMBL4661240 0.85 HTR1A (0.39) ACACBACACAPPARGPPARAACLY
SCHEMBL7615412 0.84 HDAC3 (0.49) PPARGPPARAACLYL3MBTL1
SCHEMBL7620776 0.84 HDAC3 (0.49) PPARGPPARAACLYL3MBTL1
SCHEMBL682183 0.84 HDAC3 (0.49) PPARGPPARAACLYL3MBTL1
SCHEMBL9055670 0.81 ACACB (0.66) ACACBACACAACLY
SCHEMBL4659866 0.80 ACACB (0.39) ACACBACACAACLY
SCHEMBL4659864 0.80 HDAC3 (0.41) PPARGPPARAACLYTRPA1TRPV1
SCHEMBL27630618 0.79 PPARA (0.46) PPARGPPARAACLYTRPA1MMP2

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 18 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 claimed
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP claimed
EP-2003112-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND Kowa Company, Ltd. (JP) 2008-12-17 EP claimed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US claimed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP claimed
US-20050009909-A1 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2005-01-13 US claimed
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
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
EP-2003112-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND Kowa Company, Ltd. (JP) 2008-12-17 EP disclosed
EP-2003112-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND Kowa Company, Ltd. (JP) 2008-12-17 EP disclosed
WO-2007114223-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND KOWA COMPANY, LTD. (JP) 2007-10-11 WO 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 ACACB 117/4885ACACA 54/4885PPARG 65/4885
US-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND HCAR1, HAO1, HCAR2 ACACB 233/4885ACACA 84/4885PPARG 245/4885

“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.