SCHEMBL3676720

SCHEMBL3676720

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PLAAT3 P53816 4/20 0.42
PLAAT5 Q96KN8 4/20 0.42
PLAAT2 Q9NWW9 4/20 0.42
PLAAT4 Q9UL19 4/20 0.42
LTB4R Q15722 2/20 0.40
FFAR1 O14842 1/20 0.40
PDPK1 O15530 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4661178 0.94 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4661142 0.87 VNN1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL682183 0.86 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7615412 0.86 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7620776 0.86 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13120804 0.84 HDAC1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3673780 0.84 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9663825 0.82 LTB4R (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9056155 0.80 S1PR2 (0.46) HDAC1LTB4RMEN1KMT2A
SCHEMBL9056380 0.79 MAPT (0.40) FFAR1KMT2AACLY

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 8 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
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
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

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-20100261933-A1 METHOD FOR PREPARING CARBOXYLIC ACID COMPOUND HCAR1, HAO1, HCAR2 HDAC3 2413/4885HDAC4 2500/4885HDAC1 981/4885

“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.