SCHEMBL6800526

SCHEMBL6800526

Oc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
AHR P35869 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.38
P2RX1 P51575 4/20 0.38
NOTUM Q6P988 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
P2RX4 Q99571 2/20 0.37
P2RX7 Q99572 2/20 0.37
TMPRSS4 Q9NRS4 2/20 0.37
MEN1 O00255 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31329750 1.00 RAPGEF4 (0.41) RAPGEF4HCAR1AHRPTGS1SLC13A3
SCHEMBL21945005 0.83 RXRA (0.42) KIF11CES2P2RX1NOTUMP2RX4
SCHEMBL321756 0.82 AHR (0.52) RAPGEF4AHRSLC13A3CES2NOTUM
SCHEMBL186842 0.82 GABRA1 (0.52) PTGS1KIF11CES2P2RX1GABRA1
SCHEMBL3786224 0.82 RAPGEF4 (0.47) RAPGEF4AHRSLC13A3CES2P2RX1
SCHEMBL69029 0.82 PTGS1 (0.52) PTGS1KIF11CES2P2RX1GABRA1
SCHEMBL29384937 0.79 GABRA1 (0.50) PTGS1KIF11CES2P2RX1GABRA1
Water SCHEMBL21493255 0.79 GABRA1 (0.50) PTGS1KIF11CES2P2RX1GABRA1
SCHEMBL29005991 0.79 GABRA1 (0.50) PTGS1KIF11CES2P2RX1GABRA1
SCHEMBL29886876 0.79 CES2 (0.56) PTGS1KIF11CES2P2RX1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655456-A Method for efficiently purifying and separating 2-chloro-4-trifluoromethyl phenol 上虞颖泰精细化工有限公司 2023-08-29 CN 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
EP-4735433-A2 SUBSTITUTED PYRIDAZINE COMPOUNDS AS INHIBITORS OF NLRP3 ACTIVITY AND THERAPEUTIC USES THEREOF Viva Star Biosciences (US) Inc. (US) 2026-05-06 EP disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-04-10 US disclosed
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
WO-2025006681-A2 SUBSTITUTED PYRIDAZINE COMPOUNDS AS INHIBITORS OF NLRP3 ACTIVITY AND THERAPEUTIC USES THEREOF VIVA STAR BIOSCIENCES (US) INC. (US) 2025-01-02 WO disclosed
US-12139471-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-11-12 US disclosed
US-11827596-B2 Thyromimetics AUTOBAHN THERAPEUTICS, INC. (US) 2023-11-28 US disclosed
WO-2012162407-A1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-6828466-B2 Reacting arene with borane; oxidation, hydrogenation phenylboronic acid BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-12-07 US disclosed
US-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (I.N.S.E.R.M.) (FR) 2004-07-29 US disclosed
EP-1418164-A1 New stilbene derivatives and their use as aryl hydrocarbon receptor ligand antagonists INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-05-12 EP disclosed
US-20040030197-A1 Process for the synthesis of phenols from arenes BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-02-12 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 (10 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-20040147788-A1 Stilbene derivatives and their use as aryl hydrocarbon receptor antagonistic ligands AHR, HCAR3, HCAR1 RAPGEF4 4136/4885HCAR1 3/4885AHR 1/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 RAPGEF4 439/4885HCAR1 736/4885AHR 4301/4885
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NOD1 RAPGEF4 1701/4885HCAR1 191/4885AHR 537/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 RAPGEF4 2744/4885HCAR1 505/4885AHR 137/4885
US-12139471-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 RAPGEF4 1224/4885HCAR1 71/4885AHR 222/4885
US-11827596-B2 Thyromimetics TPO, TSHR, TTR RAPGEF4 2329/4885HCAR1 800/4885AHR 2604/4885
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR RAPGEF4 1254/4885HCAR1 61/4885AHR 1027/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 RAPGEF4 1224/4885HCAR1 71/4885AHR 222/4885
US-20040030197-A1 Process for the synthesis of phenols from arenes GRHPR, CBR1, CBR3 RAPGEF4 2158/4885HCAR1 12/4885AHR 14/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 RAPGEF4 2790/4885HCAR1 514/4885AHR 139/4885

“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.