SCHEMBL9013530

SCHEMBL9013530

OCc1cc(Br)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL29411287 1.00 PDXK (0.31) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16635292 0.80 KDM4E (0.31) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29411237 0.79
SCHEMBL19794768 0.79
SCHEMBL23500825 0.78 UHRF1 (0.39) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15526484 0.78 RECQL (0.39) PDXK
SCHEMBL20972138 0.78 PTGDR2 (0.32) HSD17B10PTGDR2
SCHEMBL16122485 0.78 GABRP (0.42)
SCHEMBL17781576 0.78 PDXK (0.37) PDXK
SCHEMBL21713991 0.78 SHBG (0.38) PDXKKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
WO-2021011713-A1 IMIDAZOPYRIMIDINES AS EED INHIBITORS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-01-21 WO disclosed
US-10597383-B2 Bicyclic proline compounds GENENTECH, INC. (US) 2020-03-24 US disclosed
EP-3487853-A1 BICYCLIC PROLINE COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2019-05-29 EP disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS GENENTECH, INC. (US) 2019-05-16 US disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed
WO-2018015410-A1 BICYCLIC PROLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed
US-5536745-A (Hetero)-aryl ketones derivatives with antibacterial properties SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-16 US disclosed
EP-0652875-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1995-05-17 EP disclosed
WO-1994002478-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1994-02-03 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-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 PDXK 818/4885KDM4E 4238/4885ALDH1A1 528/4885
US-20190144428-A1 BICYCLIC PROLINE COMPOUNDS TRPA1, TRPV1, TRPV5 PDXK 818/4885KDM4E 4238/4885ALDH1A1 528/4885

“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.