SCHEMBL3048700

SCHEMBL3048700

CCCc1ccc(N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.50
PRKCI P41743 2/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
ACHE P22303 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HMGCR P04035 1/20 0.46
PDE10A Q9Y233 1/20 0.43
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL15934245 0.88 TYR (0.67) TYRPRKCITSHRCASP1MAPT
SCHEMBL1176667 0.86 TYR (0.66) TYRPRKCITSHRCASP1MAPT
SCHEMBL12464064 0.85 TYR (0.69) TYRTSHRCASP1MAPTCYP3A4
SCHEMBL5381058 0.83 PRKCI (0.63) PRKCITSHRCASP1CYP3A4ACHE
SCHEMBL454663 0.83 CASP1 (0.52) TYRPRKCITSHRCASP1MAPT
SCHEMBL23412633 0.83 RECQL (0.58) TYRPRKCITSHRCASP1MAPT
SCHEMBL29780621 0.83 RECQL (0.58) TYRPRKCITSHRCASP1MAPT
Hydrochloric Acid SCHEMBL2857849 0.81 ACHE (0.53) PRKCITSHRCASP1MAPTCYP3A4
SCHEMBL6152292 0.81 TYR (0.46) TYRPRKCITSHRCASP1MAPT
SCHEMBL4576433 0.80 PRKCI (0.44) PRKCITSHRCASP1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed
CN-107817649-A Photosensitive polymer combination, polyamide and its manufacture method, compound and its manufacture method, cured film and its manufacture method 东京应化工业株式会社 2018-03-20 CN disclosed
CN-107428747-A Substituted pyridobenzodiazepine ketone derivative and use thereof 拜耳制药股份公司 2017-12-01 CN disclosed
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 TYR 514/4885PRKCI 2744/4885TSHR 792/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 TYR 2567/4885PRKCI 4244/4885TSHR 91/4885
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB TYR 150/4885PRKCI 4187/4885TSHR 2518/4885

“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.