SCHEMBL671786

SCHEMBL671786

Cc1cc(Br)c(Cl)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR35 Q9HC97 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13550088 0.86 RAPGEF4 (0.43) ALDH1A1RAPGEF4CYP3A4CHRM1ALOX15
SCHEMBL3930536 0.86 RAPGEF4 (0.39) ALDH1A1ALDH2ALDH3A1RAPGEF4TSHR
SCHEMBL29363465 0.86 RAPGEF4 (0.39) ALDH1A1ALDH2ALDH3A1RAPGEF4TSHR
SCHEMBL21614390 0.82 SELL (0.46) ALDH1A1TSHRCYP3A4CHRM1ALOX15
SCHEMBL1494527 0.82 ALDH1A1 (0.38) ALDH1A1ALDH2ALDH3A1TSHRCYP3A4
SCHEMBL24172087 0.82 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1
SCHEMBL16860564 0.82 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1RAPGEF4MYC
SCHEMBL14500126 0.78 ACHE (0.48) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL7765925 0.75 MYC (0.53) ALDH1A1TSHRCYP3A4GPR35KDM4E
SCHEMBL22232253 0.73 GPR35 (0.52) ALDH1A1TSHRCYP3A4ALOX15GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168418-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2026-05-27 EP disclosed
US-20260137699-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2026-05-21 US disclosed
US-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-05-21 US disclosed
US-12435099-B2 Organic molecules for optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2025-10-07 US disclosed
CN-120136909-A Boron nitride compound and application thereof 阜阳欣奕华新材料科技股份有限公司 2025-06-13 CN disclosed
CN-115812074-B Organic molecules for optoelectronic devices 三星显示有限公司 2025-06-13 CN disclosed
US-20250101047-A1 BORON-NITROGEN COMPOUNDS AND ORGANIC ELECTRONIC DEVICES INCLUDING THE SAME SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2025-03-27 US disclosed
CN-114181235-B Polycyclic compound and device thereof 北京夏禾科技有限公司 2024-10-15 CN disclosed
US-12065454-B2 Organic molecules for optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-20 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 US disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 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 (10 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-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF SLC10A1, NR3C2, CYP2C8 ALDH1A1 230/4885ALDH2 1172/4885ALDH3A1 419/4885
US-20250101047-A1 BORON-NITROGEN COMPOUNDS AND ORGANIC ELECTRONIC DEVICES INCLUDING THE SAME OR10J3, ETV6, ESR1 ALDH1A1 2530/4885ALDH2 3332/4885ALDH3A1 4001/4885
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF ALDH1A1 3869/4885ALDH2 4422/4885ALDH3A1 4026/4885
US-12435099-B2 Organic molecules for optoelectronic devices OR10J3, ORC3, C5 ALDH1A1 2489/4885ALDH2 1817/4885ALDH3A1 816/4885
US-20260137699-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF SCN1B, OXER1, NR3C2 ALDH1A1 970/4885ALDH2 2639/4885ALDH3A1 1386/4885
US-12065454-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, AOX1 ALDH1A1 219/4885ALDH2 662/4885ALDH3A1 1114/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 ALDH1A1 362/4885ALDH2 274/4885ALDH3A1 474/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF ALDH1A1 3869/4885ALDH2 4422/4885ALDH3A1 4026/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 ALDH1A1 1467/4885ALDH2 816/4885ALDH3A1 1527/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ALDH1A1 1103/4885ALDH2 727/4885ALDH3A1 842/4885

“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.