SCHEMBL578367

SCHEMBL578367

O=Cc1c(F)cc(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.37
ALDH1A1 P00352 1/20 0.34
DGAT1 O75907 1/20 0.34
PRKDC P78527 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
AR P10275 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
SCHEMBL1591899 0.88 ERN1 (0.42) ERN1ALDH1A1DGAT1PRKDCCA1
SCHEMBL16269054 0.84 ERN1 (0.30) ERN1
SCHEMBL30975524 0.84 MEN1 (0.37) ERN1ALDH1A1
SCHEMBL30169735 0.84 ERN1 (0.41) ERN1DGAT1AR
SCHEMBL19209562 0.84 MEN1 (0.37) ERN1ALDH1A1
SCHEMBL23890741 0.84 ERN1 (0.31) ERN1
SCHEMBL16268831 0.84 ERN1 (0.41) ERN1DGAT1AR
SCHEMBL17449171 0.84 ERN1 (0.33) ERN1PRKDCAR
SCHEMBL21061499 0.84 CA1 (0.33) ERN1DGAT1CA1CA2CA9
SCHEMBL31039195 0.84 ERN1 (0.33) ERN1PRKDCAR

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 900 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12233052-B2 Tetrahydro-pyrido[3,4-b]indole estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2025-02-25 US claimed
CN-118005631-A Tetrahydro-pyrido [3,4-b ] indole estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2024-05-10 CN claimed
CN-112375078-B Tetrahydro-pyrido [3,4-b ] indole estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2023-12-19 CN claimed
US-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2023-02-09 US claimed
CN-110746372-A Small molecule acceptor material with low lowest unoccupied molecular orbital energy level, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所南昌研究院 2020-02-04 CN claimed
US-9018409-B2 Process for functionalization of unsaturated compounds MEURICE R&D ASBL (BE) 2015-04-28 US claimed
EP-2632886-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS Meurice R&D ASBL (BE) 2013-09-04 EP claimed
US-20130211033-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS MEURICE R&D ASBL (BE) 2013-08-15 US claimed
CN-101353317-B Preparation of 4-bromo-2,6-difluorobenzonitrile SHIJIAZHUANG GUODA IND CO LTD 2012-07-04 CN claimed
WO-2012055946-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS MEURICE R&D ASBL (BE) 2012-05-03 WO claimed
CN-101353317-A Preparation of 4-bromo-2,6-difluorobenzonitrile SHIJIAZHUANG GUODA IND CO LTD (CN) 2009-01-28 CN claimed
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
CN-122055058-A Biaryl compound and method for controlling plant disease 住友化学株式会社 2026-05-15 CN disclosed
US-20260132139-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-14 US disclosed
EP-4739306-A2 POLO-LIKE KINASE 1 INHIBITORS Cervero Therapeutics, LLC (US) 2026-05-13 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
US-20040006235-A1 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2004-01-08 US disclosed
EP-1346995-A1 Process for the preparation of ring compounds MERCK PATENT GmbH (DE) 2003-09-24 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 (7 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-12233052-B2 Tetrahydro-pyrido[3,4-b]indole estrogen receptor modulators and uses thereof ESR2, GPER1, ESR1 ERN1 2602/4885ALDH1A1 1250/4885DGAT1 4533/4885
US-20040006235-A1 Process for the preparation of ring compounds NBAS, HDHD5, DBF4 ERN1 972/4885ALDH1A1 3474/4885DGAT1 2455/4885
US-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 ERN1 1226/4885ALDH1A1 519/4885DGAT1 3662/4885
US-20130211033-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS F10, RPP30, PUF60 ERN1 1728/4885ALDH1A1 46/4885DGAT1 1386/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 ERN1 2044/4885ALDH1A1 1029/4885DGAT1 1142/4885
US-20260132139-A1 HIV INHIBITOR COMPOUNDS SLC11A2, SLC6A15, NHERF1 ERN1 849/4885ALDH1A1 2353/4885DGAT1 4614/4885
US-20230045776-A9 TETRAHYDRO- PYRIDO[3,4- b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 ERN1 2602/4885ALDH1A1 1250/4885DGAT1 4533/4885

“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.