SCHEMBL15345565

SCHEMBL15345565

NCc1cccc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.47
ENPP2 Q13822 1/20 0.44
CYP1A2 P05177 1/20 0.43
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
TLR8 Q9NR97 1/20 0.41
PLAU P00749 1/20 0.40
ABAT P80404 1/20 0.40
HTR2A P28223 1/20 0.39
NQO2 P16083 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
SCHEMBL12676044 0.85 MTNR1A (0.53) ENPP2CYP1A2ESR1ESR2ABAT
SCHEMBL30727531 0.81 IDH1 (0.54) IDH1CYP1A2ESR1ESR2HSD17B1
SCHEMBL29418808 0.81 IDH1 (0.54) IDH1CYP1A2ESR1ESR2HSD17B1
SCHEMBL3952728 0.81 IDH1 (0.54) IDH1CYP1A2ESR1ESR2HSD17B1
Hydrochloric Acid SCHEMBL30487949 0.80 IDH1 (0.44) IDH1CYP1A2ESR1ESR2HSD17B1
Hydrochloric Acid SCHEMBL30487955 0.80 IDH1 (0.44) IDH1CYP1A2ESR1ESR2HSD17B1
Hydrochloric Acid SCHEMBL29678754 0.79 IDH1 (0.52) IDH1CYP1A2ESR1ESR2HSD17B1
Hydrochloric Acid SCHEMBL30520083 0.79 IDH1 (0.52) IDH1CYP1A2ESR1ESR2HSD17B1
Hydrochloric Acid SCHEMBL30520291 0.79 IDH1 (0.52) IDH1CYP1A2ESR1ESR2HSD17B1
SCHEMBL4847363 0.78 ROCK1 (0.49) ENPP2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP 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 (1 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 IDH1 520/4885ENPP2 3361/4885CYP1A2 98/4885

“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.