SCHEMBL4661293

SCHEMBL4661293

CC(=O)OC(CCCCCCCBr)CCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.46
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
DPP4 P27487 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LTA4H P09960 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL4661136 0.95 PPARA (0.42) MMP12PPARAPPARGGAAKDM4E
SCHEMBL4659900 0.84 PDPK1 (0.43) MMP12PPARAPPARGALDH1A1MEN1
SCHEMBL4661257 0.80 MMP12 (0.40) MMP12PPARAPPARGDPP4GAA
SCHEMBL4661420 0.77 KCNH2 (0.34) PPARAPPARGDPP4MEN1KMT2A
SCHEMBL4659861 0.75 HDAC3 (0.38) MMP12PPARAPPARGGAAALDH1A1
SCHEMBL4659970 0.74 HTR1A (0.40) PPARAPPARGDPP4HDAC3HDAC4
SCHEMBL11622013 0.74 PRKCA (0.43)
SCHEMBL10420424 0.73 PPARA (0.60) MMP12PPARAPPARGHDAC3HDAC4
SCHEMBL4661332 0.72 KCNH2 (0.40) PPARAPPARGGAATHRATHRB
SCHEMBL7279889 0.72 MMP12 (0.68) MMP12ALDH1A1MEN1HTTKMT2A

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 1024/4885PPARA 68/4885PPARG 65/4885
US-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND HCAR1, HAO1, HCAR2 MMP12 3990/4885PPARA 310/4885PPARG 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.