SCHEMBL12290669

SCHEMBL12290669

COC(=O)CC(C)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
KCNA5 P22460 1/20 0.41
CTSA P10619 3/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14662635 0.83 ESR1 (0.46) KCNA5CTSAESR1ATMTDP1
SCHEMBL17754986 0.83 HTT (0.51) KCNA5MAPTL3MBTL1HPGDHTT
SCHEMBL17749159 0.81 ADRB2 (0.45) KCNA5CTSAMAPTRAB9AALDH1A1
SCHEMBL26455960 0.81 MEN1 (0.48) KCNA5MAPTRAB9AALDH1A1CYP2C9
SCHEMBL7112192 0.81 CYP2C19 (0.56) KCNA5MAPTHTTRAB9AALDH1A1
SCHEMBL6841260 0.80 FFAR1 (0.49) CTSA
SCHEMBL12329342 0.80 NR3C2 (0.42) NR3C2CTSAESR1MAPTTDP1
SCHEMBL12290664 0.80 NLRP3 (0.47) NR3C2HTTALDH1A1NLRP3
SCHEMBL31522456 0.79 ESR1 (0.39) ESR1MAPTHTTRAB9AALDH1A1
SCHEMBL7716653 0.79 KCNA5 (0.39) KCNA5MAPTL3MBTL1HPGDHTT

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-10723708-B2 Anti-HCMV compositions and methods EVRYS BIO, LLC (US) 2020-07-28 US disclosed
US-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC 2018-06-21 US disclosed
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 WO 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 (3 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-10723708-B2 Anti-HCMV compositions and methods RPL35, RPL7, RPL5 NR3C2 2623/4885KCNA5 4837/4885CTSA 51/4885
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 NR3C2 1911/4885KCNA5 3664/4885CTSA 1680/4885
US-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS RPL35, RPL7, RPL5 NR3C2 2623/4885KCNA5 4837/4885CTSA 51/4885

“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.