SCHEMBL4467924

SCHEMBL4467924

CCOC(=O)C1=CCCC=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA7 P43166 6/20 0.39
CA9 Q16790 6/20 0.39
CA14 Q9ULX7 6/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL13969442 0.83 TSHR (0.42) ALDH1A1LMNAHSD17B10TSHRCA12
SCHEMBL24292366 0.79 CHRM2 (0.40) LMNATSHRALOX15
SCHEMBL896075 0.79 CHRM3 (0.39) ALDH1A1LMNATSHRCA12CA1
SCHEMBL24292367 0.78 CHRM1 (0.46) LMNATSHRMAPTSMN1; SMN2GAA
SCHEMBL22877649 0.78 SCN1A (0.36) ALDH1A1LMNATSHRESR1HPGD
SCHEMBL24292365 0.76 CHRM2 (0.35) ALDH1A1HPGD
SCHEMBL10899341 0.75 TDP1 (0.53) ALDH1A1LMNATSHRCA12CA1
SCHEMBL10282953 0.75 CHRNB2 (0.38) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL5114658 0.74 CA12 (0.43) ALDH1A1LMNAHSD17B10TSHRCA12
SCHEMBL20837014 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116999571-A Antibody-drug conjugates comprising anti-B7-H3 antibodies 尹图赛利有限公司 2023-11-07 CN disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
EP-4171655-A1 ANTIBODY-DRUG CONJUGATES COMPRISING ANTI-B7-H3 ANTIBODIES Intocell, Inc. (KR) 2023-05-03 EP disclosed
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2022-05-26 US disclosed
US-20220047717-A1 ANTIBODY-DRUG CONJUGATES COMPRISING ANTI-B7-H3 ANTIBODIES Y-Biologics Inc. (KR) 2022-02-17 US disclosed
WO-2021260438-A1 ANTIBODY-DRUG CONJUGATES COMPRISING ANTI-B7-H3 ANTIBODIES INTOCELL, INC. (KR) 2021-12-30 WO disclosed
US-11084801-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2021-08-10 US disclosed
EP-3802546-A2 NOVEL BENZODIAZEPINE DERIVATIVES AND USES THEREOF Intocell, Inc. (KR) 2021-04-14 EP disclosed
EP-2000150-B1 TITANIUM OXIDE COMPLEX PARTICLE, DISPERSION SOLUTION OF THE PARTICLE, AND PROCESS FOR PRODUCTION OF THE PARTICLE TOTO LTD (JP) 2016-07-13 EP disclosed
US-20150352227-A1 METHOD FOR ACCUMULATING TITANIUM OXIDE COMPOSITE PARTICLES INTO A CANCER TISSUE TOTO LTD (JP) 2015-12-10 US disclosed
WO-2012166390-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 WO disclosed
US-20090130050-A1 Titanium Oxide Composite Particles, Dispersion Liquid Thereof, and Process for Producing Them TOTO LTD. (JP) 2009-05-21 US disclosed
EP-2000150-A9 TITANIUM OXIDE COMPLEX PARTICLE, DISPERSION SOLUTION OF THE PARTICLE, AND PROCESS FOR PRODUCTION OF THE PARTICLE Toto Ltd. (JP) 2009-03-25 EP disclosed
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2009-01-15 US disclosed
EP-2000150-A2 TITANIUM OXIDE COMPLEX PARTICLE, DISPERSION SOLUTION OF THE PARTICLE, AND PROCESS FOR PRODUCTION OF THE PARTICLE Toto Ltd. (JP) 2008-12-10 EP disclosed
US-7399782-B2 Polyether brevetoxin derivatives as a treatment for cystic fibrosis, mucociliary dysfunction, and pulmonary diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2008-07-15 US disclosed
US-20030199693-A1 Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activies on PDE-5 phosphodiesterase CHEN ING-JUN (TW) 2003-10-23 US disclosed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 US 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-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 900/4885LMNA 726/4885HSD17B10 875/4885
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF GABRB3, GABRB2, GABRB1 ALDH1A1 900/4885LMNA 726/4885HSD17B10 875/4885
US-20220047717-A1 ANTIBODY-DRUG CONJUGATES COMPRISING ANTI-B7-H3 ANTIBODIES CD274, CD44, H1-3 ALDH1A1 341/4885LMNA 3972/4885HSD17B10 2529/4885
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases CFTR, MUC1, SLC47A1 ALDH1A1 3628/4885LMNA 2233/4885HSD17B10 3287/4885
US-20030199693-A1 Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activies on PDE-5 phosphodiesterase PDE3A, PDE5A, PDE3B ALDH1A1 3605/4885LMNA 1621/4885HSD17B10 3564/4885
US-11084801-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 900/4885LMNA 726/4885HSD17B10 875/4885

“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.