SCHEMBL6827982

SCHEMBL6827982

Clc1ccc2occ(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
AHR P35869 7/20 0.42
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL30695267 0.78 PTPN1 (0.53) PTPN1AHRALDH1A1NPC1MAPT
SCHEMBL20274092 0.78 PTPN1 (0.53) PTPN1AHRALDH1A1HSD17B10LMNA
SCHEMBL31231900 0.75 PTPN1 (0.50) PTPN1ALDH1A1LMNAHTTMAOA
SCHEMBL28572489 0.75 PTPN1 (0.50) PTPN1AHRALDH1A1HSD17B10LMNA
SCHEMBL2092627 0.75 PTPN1 (0.50) PTPN1AHRALDH1A1HSD17B10LMNA
SCHEMBL23330765 0.75 PTPN1 (0.50) PTPN1ALDH1A1LMNAHTTMAOA
SCHEMBL2091508 0.75 PTPN1 (0.50) PTPN1AHRALDH1A1HSD17B10LMNA
SCHEMBL19700122 0.75 PTPN1 (0.50) PTPN1AHRALDH1A1HSD17B10LMNA
SCHEMBL31589115 0.72 PTPN1 (0.33) PTPN1ALDH1A1HTTMAOAMAOB
SCHEMBL15898858 0.72 PTPN1 (0.47) PTPN1AHRALDH1A1HSD17B10LMNA

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
CN-118496276-A Organic electroluminescent material and device 环球展览公司 2024-08-16 CN disclosed
US-20240270777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-08-15 US disclosed
CN-114605411-B Acridine derivative and application thereof 上海八亿时空先进材料有限公司 2024-03-19 CN disclosed
CN-114605411-A Acridine derivative and application thereof 上海八亿时空先进材料有限公司 2022-06-10 CN disclosed
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2017-12-28 US disclosed
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
CN-103703006-B HCV protease inhibitor 上海唐润医药科技有限公司 2016-08-10 CN disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
WO-2016054491-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2016-04-07 WO disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 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-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTPN1 767/4885AHR 1748/4885ALDH1A1 3154/4885
US-20240270777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, AOC2 PTPN1 4593/4885AHR 690/4885ALDH1A1 53/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTPN1 767/4885AHR 1748/4885ALDH1A1 3154/4885

“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.