SCHEMBL498281

SCHEMBL498281

Cc1cc(B(O)O)c(C)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
PLA2G10 O15496 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
SCHEMBL3781344 0.75 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL532620 0.72 ENPP2 (0.34)
SCHEMBL17398210 0.70 CYP2A6 (0.39) ALDH1A1
SCHEMBL29954338 0.70 PGR (0.33)
SCHEMBL28875003 0.70
SCHEMBL3783537 0.67 HPGD (0.31)
SCHEMBL7194664 0.65 ALDH1A1 (0.50) ALDH1A1TSHRALOX5GAAHTT
SCHEMBL3782240 0.64 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL13889735 0.63 ALDH1A1 (0.36) ALDH1A1TSHRALOX5GAAHTT
SCHEMBL8538414 0.62 ALDH1A1 (0.32) ALDH1A1ALOX5GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20240279627-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF DANISCO US INC (US) 2024-08-22 US disclosed
CN-118063461-A Red light/near infrared photochromic molecule, preparation method and application thereof 华东理工大学 2024-05-24 CN disclosed
US-20230049452-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF DANISCO US INC (US) 2023-02-16 US disclosed
EP-4090727-A1 COMPOSITIONS COMPRISING A LIPOLYTIC ENZYME VARIANT AND METHODS OF USE THEREOF Danisco US Inc. (US) 2022-11-23 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 US disclosed
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
WO-2010036497-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2010-04-01 WO disclosed
EP-1648864-A4 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF UNIV HONG KONG (CN) 2009-08-19 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7355775-B2 Photochromic diarylethene-containing coordination compounds and the production thereof THE UNIVERSITY OF HONG KONG (CN) 2008-04-08 US disclosed
US-7355775-B2 Photochromic diarylethene-containing coordination compounds and the production thereof THE UNIVERSITY OF HONG KONG (CN) 2008-04-08 US disclosed
US-20070057240-A1 extends excitation wavelength for the photocyclization of the diarylethene moiety from lambda <== 340 nm to lower energy, so that the photochromic forward reaction can proceed with visible light excitation by utilization of the low-energy absorptions characteristic UNIVERSITY OF HONG KONG, THE (CN) 2007-03-15 US disclosed
US-20070057240-A1 extends excitation wavelength for the photocyclization of the diarylethene moiety from lambda <== 340 nm to lower energy, so that the photochromic forward reaction can proceed with visible light excitation by utilization of the low-energy absorptions characteristic UNIVERSITY OF HONG KONG, THE (CN) 2007-03-15 US disclosed
EP-1648864-A1 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF The University of Hong Kong (CN) 2006-04-26 EP disclosed
US-20050033072-A1 Photochromic diarylethene-containing coordination compounds and the production thereof UNIVERSITY OF HONG KONG, THE (CN) 2005-02-10 US disclosed
WO-2005003126-A1 PHOTOCHROMIC DIARYLETHENE-CONTAINING COORDINATION COMPOUNDS AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (CN) 2005-01-13 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 (6 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-20070057240-A1 extends excitation wavelength for the photocyclization of the diarylethene moiety from lambda <== 340 nm to lower energy, so that the photochromic forward reaction can proceed with visible light excitation by utilization of the low-energy absorptions characteristic CYBA, POLL, CRY1 ALDH1A1 875/4885TSHR 4810/4885ALOX5 3748/4885
US-20050033072-A1 Photochromic diarylethene-containing coordination compounds and the production thereof CRY1, CRY2, DDT ALDH1A1 1804/4885TSHR 4722/4885ALOX5 4386/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885TSHR 4380/4885ALOX5 3759/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885TSHR 4380/4885ALOX5 3759/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885TSHR 4241/4885ALOX5 3984/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4307/4885TSHR 4516/4885ALOX5 3862/4885

“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.