SCHEMBL871045

SCHEMBL871045

COc1cccc(-c2cnc[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.58
CYP3A4 P08684 3/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
LTA4H P09960 1/20 0.53
NPY5R Q15761 1/20 0.52
GAA P10253 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49

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
Ethyl Acetate SCHEMBL28283549 0.84 KDM4E (0.48) IDO1NPY5RGAA
SCHEMBL27908051 0.80 IDO1 (0.54) IDO1CYP3A4CYP11B1CYP11B2LTA4H
SCHEMBL872211 0.79 LTA4H (0.64) IDO1CYP3A4CYP11B1CYP11B2LTA4H
SCHEMBL871586 0.77 IDO1 (0.64) IDO1CYP3A4CYP11B1CYP11B2NPY5R
SCHEMBL21128574 0.75 IDO1 (0.74) IDO1CYP3A4CYP11B1CYP11B2LTA4H
SCHEMBL28238890 0.75 CYP17A1 (0.52) IDO1CYP3A4CYP11B1CYP11B2NPY5R
SCHEMBL29578589 0.75 CYP17A1 (0.52) IDO1CYP3A4CYP11B1CYP11B2NPY5R
SCHEMBL25262025 0.74 IDO1 (0.64) IDO1CYP3A4CYP11B1CYP11B2CYP2D6
SCHEMBL7443518 0.74 GAA (0.56) CYP3A4NPY5RGAACYP2D6CYP2C9
SCHEMBL872416 0.74 IDO1 (1.00) IDO1CYP3A4CYP11B1CYP11B2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4525821-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT Firmenich Incorporated (US) 2025-03-26 EP claimed
WO-2024011086-A1 COMPOSITIONS THAT ENHANCE THE COOLING EFFECT FIRMENICH INCORPORATED (US) 2024-01-11 WO claimed
CN-109438520-B Cyclometallated tetradentate Pt (II) complexes 通用显示公司 2021-09-07 CN disclosed
EP-3032625-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2020-01-08 EP disclosed
EP-3264506-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2018-01-03 EP disclosed
EP-2458667-B1 FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC (JP) 2017-05-24 EP disclosed
EP-2763223-B1 POROUS SEPARATOR FOR FUEL CELLS NISSHINBO CHEMICAL INC (JP) 2016-11-16 EP disclosed
US-9493698-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-15 US disclosed
US-9493698-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-15 US disclosed
US-9493698-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-15 US disclosed
EP-3032625-A1 FUEL CELL SEPARATOR Nisshinbo Chemical Inc. (JP) 2016-06-15 EP disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 IDO1 2001/4885CYP3A4 3162/4885CYP11B1 711/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 IDO1 1578/4885CYP3A4 2593/4885CYP11B1 1034/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 IDO1 2001/4885CYP3A4 3162/4885CYP11B1 711/4885

“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.