SCHEMBL4662607

SCHEMBL4662607

O=C(O)C(Cl)(Cl)CCCCCC(O)CCCCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
TRPA1 O75762 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ACLY P53396 8/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 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
SCHEMBL3674094 0.95 ACACB (0.45) ACACBACACATRPA1PPARAPPARG
SCHEMBL7620776 0.90 HDAC3 (0.49) PPARAPPARGACLYHDAC3HDAC4
SCHEMBL682183 0.90 HDAC3 (0.49) PPARAPPARGACLYHDAC3HDAC4
SCHEMBL7615412 0.90 HDAC3 (0.49) PPARAPPARGACLYHDAC3HDAC4
SCHEMBL4661274 0.88 ACACB (0.43) ACACBACACAPPARAPPARGACLY
SCHEMBL4659864 0.85 HDAC3 (0.41) TRPA1PPARAPPARGTRPV1ACLY
SCHEMBL9056155 0.84 S1PR2 (0.46) TRPV1HDAC1LTB4R
SCHEMBL4661178 0.83 HDAC3 (0.50) ACLYHDAC3HDAC4HDAC1HDAC7
SCHEMBL8463990 0.82 HDAC3 (0.42) PPARAPPARGACLYHDAC3HDAC4
SCHEMBL7616376 0.82 S1PR2 (0.42) ACLYHDAC3HDAC4HDAC1HDAC7

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 ACACB 117/4885ACACA 54/4885TRPA1 4677/4885

“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.