SCHEMBL3170932

SCHEMBL3170932

CCC(O)C(=O)OCCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL27743535 0.84 HCAR2 (0.51) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL28893772 0.84 HCAR2 (0.51) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL585944 0.84 HCAR2 (0.51) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL19105213 0.84 HCAR2 (0.51) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL8954716 0.83 HCAR2 (0.50) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL872788 0.83 HCAR2 (0.50) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL30879570 0.83 HCAR2 (0.50) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL18656681 0.82 HCAR2 (0.53) HCAR2ESR1ESR2TDP1NPC1
SCHEMBL5768186 0.82 ALDH1A1 (0.58) HCAR2TDP1NPC1RAB9AL3MBTL1
SCHEMBL10491290 0.82 HCAR2 (0.53) HCAR2ESR1ESR2TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408107-B1 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene DAISO CO LTD (JP) 2010-03-24 EP disclosed
US-7335502-B2 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene DAISO CO., LTD. (JP) 2008-02-26 US disclosed
US-20060257988-A1 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene NAKAGAWA ATSUSHI 2006-11-16 US disclosed
US-7112428-B2 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene DAISO CO., LTD. (JP) 2006-09-26 US disclosed
US-20040132154-A1 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene OSAKA SODA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1408107-A2 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene DAISO CO., LTD. (JP) 2004-04-14 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-20040132154-A1 Chlorohydrin and hydroxycarboxylic ester asymmetric hydrolase gene HDHD5, PHGDH, EI24 HCAR2 729/4885ESR1 635/4885ESR2 1233/4885

“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.