SCHEMBL1508252

SCHEMBL1508252

O=CCCCc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
IDO1 P14902 2/20 0.44
DAO P14920 1/20 0.44
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.40
KMT2A Q03164 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
POLQ O75417 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
NR3C2 P08235 1/20 0.37
MAOB P27338 2/20 0.37
AR P10275 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
SCHEMBL5540185 0.89 IDO1 (0.52) HDAC1HDAC8IDO1DAOCNR1
SCHEMBL5540871 0.81 HDAC1 (0.48) HDAC1HDAC8IDO1DAOGAA
SCHEMBL1043968 0.79 HDAC1 (0.51) HDAC1HDAC8IDO1DAOGAA
SCHEMBL2091955 0.78 IDO1 (0.45) HDAC1HDAC8IDO1DAOGAA
SCHEMBL17329111 0.78 IDO1 (0.59) HDAC1HDAC8IDO1DAOCNR1
SCHEMBL18378141 0.78 HDAC1 (0.54) HDAC1HDAC8IDO1DAOGAA
SCHEMBL5544075 0.77 CNR1 (0.48) HDAC1HDAC8IDO1DAOGAA
SCHEMBL169420 0.77 IDO1 (0.50) IDO1DAOKMT2APOLQKDM4E
SCHEMBL11503520 0.77 NR1H2 (0.38) HDAC1HDAC8GAACNR1KMT2A
SCHEMBL11332602 0.76 HDAC1 (0.46) HDAC1HDAC8IDO1DAOGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 HDAC1 379/4885HDAC8 1499/4885IDO1 3790/4885

“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.