SCHEMBL440836

SCHEMBL440836

COc1cc(O)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
PTGS2 P35354 3/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
TTR P02766 1/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CALM1 P0DP23 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL29410297 1.00 CYP3A4 (0.50) CYP3A4PTGS2CYP1A1CYP1B1TTR
SCHEMBL233829 0.82 ALDH1A1 (0.69) CYP3A4PTGS2CYP1A1CYP1B1TTR
Flamenol SCHEMBL69428 0.82 CYP3A4 (0.62) CYP3A4PTGS2CYP1A1CYP1B1TTR
SCHEMBL811578 0.82 ALDH1A1 (0.59) CYP3A4CYP1A1CYP1B1ALDH1A1TP53
SCHEMBL21263 0.82 ALDH1A1 (0.69) CYP3A4PTGS2CYP1A1CYP1B1TTR
SCHEMBL6122883 0.80 HSP90AA1 (0.54) CYP3A4ALDH1A1MEN1HPGDKMT2A
SCHEMBL1816933 0.79 ALDH1A1 (0.65) CYP3A4PTGS2CYP1A1CYP1B1TTR
Flamenol SCHEMBL3190965 0.79 CYP3A4 (0.59) CYP3A4PTGS2CYP1A1CYP1B1TTR
SCHEMBL28298270 0.79 ALDH1A1 (0.65) CYP3A4PTGS2CYP1A1CYP1B1TTR
SCHEMBL29210999 0.78 HCAR1 (0.41) CYP3A4ALDH1A1HPGDHSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028600-A1 PROCESS FOR PRODUCTION OF CARBOXYLATED PHENOL DERIVATIVES RHODIA OPERATIONS (FR) 2019-02-14 WO claimed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
EP-0299890-B1 PROCESS FOR THE CHLORINATION OF PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-12-11 EP claimed
EP-0283411-B1 PROCESS FOR CHLORINATING PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1991-08-07 EP claimed
EP-0255452-B1 PROCESS FOR CHLORINATING PHENOLIC COMPOUNDS RHONE-POULENC CHIMIE (FR) 1990-01-24 EP claimed
EP-0299890-A1 Process for the chlorination of phenolic compounds RHONE-POULENC CHIMIE (FR) 1989-01-18 EP claimed
EP-0283411-A1 Process for chlorinating phenolic compounds RHONE-POULENC CHIMIE (FR) 1988-09-21 EP claimed
EP-0255452-A1 Process for chlorinating phenolic compounds RHONE-POULENC CHIMIE (FR) 1988-02-03 EP claimed
EP-0211775-A1 Process for nitrating phenolic compounds RHONE-POULENC CHIMIE (FR) 1987-02-25 EP claimed
US-12433160-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2025-09-30 US disclosed
US-12421193-B2 GPR52 modulators and methods of use NEUROCRINE BIOSCIENCES, INC. (US) 2025-09-23 US disclosed
EP-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 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 (4 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-12433160-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM CYP3A4 1039/4885PTGS2 2459/4885CYP1A1 2019/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 CYP3A4 2369/4885PTGS2 2846/4885CYP1A1 364/4885
US-12421193-B2 GPR52 modulators and methods of use GPR52, GPR68, GPR35 CYP3A4 2659/4885PTGS2 333/4885CYP1A1 2102/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 CYP3A4 2402/4885PTGS2 2869/4885CYP1A1 373/4885

“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.