SCHEMBL5048638

SCHEMBL5048638

CCCCC[n+]1ccn(Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
ACHE P22303 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5307703 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5297847 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5298450 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5813633 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5295972 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5302619 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5295433 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5301214 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5304009 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL5817318 0.98 ABCB11 (0.46) ABCB11ESR1PGRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377535-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2022-07-05 US claimed
US-20200207940-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2020-07-02 US claimed
US-10611892-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2020-04-07 US claimed
US-20180291174-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2018-10-11 US claimed
US-11377535-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2022-07-05 US disclosed
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
US-20200207940-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2020-07-02 US disclosed
US-10611892-B2 Carbon fiber recovery compositions and methods THE BOEING COMPANY (US) 2020-04-07 US disclosed
US-10378046-B2 Method of targeting mismatched DNA using d8 square planar metal complexes THE UNIVERSITY OF HONG KONG (CN) 2019-08-13 US disclosed
US-20180291174-A1 Carbon Fiber Recovery Compositions and Methods THE BOEING COMPANY 2018-10-11 US disclosed
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 EP disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
EP-1857446-A1 NOVEL HSP90 INHIBITOR Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-21 EP disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 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 (5 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ABCB11 276/4885ESR1 3457/4885PGR 1653/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ABCB11 276/4885ESR1 3457/4885PGR 1653/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ABCB11 550/4885ESR1 3298/4885PGR 1677/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ABCB11 276/4885ESR1 3457/4885PGR 1653/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 ABCB11 276/4885ESR1 3457/4885PGR 1653/4885

“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.