SCHEMBL3617786

SCHEMBL3617786

O=C(CCl)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ GSK3B P49841 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 2/20 0.42

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
SCHEMBL11737575 0.84 ALDH1A1 (0.61) ALDH1A1GSK3BMAPK1HIF1ATRPA1
SCHEMBL3920221 0.83 GSK3B (0.44) ALDH1A1GSK3BHPGDMAPK1HIF1A
SCHEMBL28053559 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1SMN1; SMN2HSD17B10
SCHEMBL15979732 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL166468 0.80 PTPN1 (0.57) ALDH1A1GSK3BHPGDSMN1; SMN2HSD17B10
SCHEMBL29758522 0.80 PTPN1 (0.57) ALDH1A1GSK3BHPGDSMN1; SMN2HSD17B10
SCHEMBL3703924 0.80 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL8740774 0.80 PTPN1 (0.57) ALDH1A1GSK3BHPGDSMN1; SMN2HSD17B10
SCHEMBL5660953 0.79 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674068-A A kind of method for synthesizing Rynaxypyr derivatives intermediates 浙江工业大学 2018-02-09 — — CN claimed
US-20230232703-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-20 — — US disclosed
US-20230232703-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-20 — — US disclosed
CN-107674068-A A kind of method for synthesizing Rynaxypyr derivatives intermediates 浙江工业大学 2018-02-09 — — CN disclosed
EP-3260445-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-27 — — EP disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 — — EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 — — US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 — — EP disclosed
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 — — EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 — — US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 — — EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 — — 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 ALDH1A1 277/4885GSK3B 2227/4885HPGD 270/4885
US-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB ALDH1A1 2274/4885GSK3B 447/4885HPGD 2520/4885
US-20230232703-A1 LIGHT EMITTING ELEMENT AND ORGANOMETALLIC COMPOUND FOR THE SAME NFE2L2, CRY1, GPX1 ALDH1A1 154/4885GSK3B 4486/4885HPGD 2633/4885

“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.

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