SCHEMBL8512426

SCHEMBL8512426

COC(=O)c1cc(Br)ccc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR4A2 P43354 1/20 0.47
AR P10275 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 3/20 0.45
KDM4E B2RXH2 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
STAT3 P40763 1/20 0.44
LRRK2 Q5S007 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL8512059 0.87 NR4A2 (0.47) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL31426250 0.86 HSD17B10 (0.49) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL14027054 0.86 HSD17B10 (0.49) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL29849022 0.86 HSD17B10 (0.51) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL15270595 0.86 HSD17B10 (0.51) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL18643141 0.84 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL14683695 0.84 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL392403 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL30361998 0.83 ALDH1A1 (0.59) HSD17B10ALDH1A1SMN1; SMN2MAPTGFER
SCHEMBL7990241 0.83 LRRK2 (0.60) HSD17B10ALDH1A1NR4A2GAAPOLB

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 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 (2 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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 HSD17B10 425/4885ALDH1A1 2602/4885SMN1; SMN2 4801/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 HSD17B10 425/4885ALDH1A1 2602/4885SMN1; SMN2 4801/4885

“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.