SCHEMBL477925

SCHEMBL477925

O=C(Cl)c1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
GAA P10253 1/20 0.42
P2RX1 P51575 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
NOTUM Q6P988 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CES1 P23141 1/20 0.38
PTGS1 P23219 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL322157 0.87 CES2 (0.67) CES2GAAP2RX1NOTUMRXRA
SCHEMBL29789615 0.82 CA12 (0.60) CES2GAAP2RX1RXRARXRB
SCHEMBL477824 0.82 CA12 (0.60) CES2GAAP2RX1RXRARXRB
SCHEMBL29593993 0.80 CES2 (0.52) CES2GAAGPBAR1NOTUMRXRA
SCHEMBL679313 0.80 CES2 (0.52) CES2GAAGPBAR1NOTUMRXRA
SCHEMBL13131605 0.80 CA5A (0.61) CES2GAAP2RX1GPBAR1NOTUM
SCHEMBL31643321 0.80 CA5A (0.61) CES2GAAP2RX1GPBAR1NOTUM
SCHEMBL1792413 0.80 CES2 (0.52) CES2GAAGPR35MEN1KMT2A
SCHEMBL2452507 0.80 CES2 (0.52) CES2GAAP2RX1NOTUMRXRA
SCHEMBL477562 0.78 NOTUM (0.62) CES2GAAGPBAR1NOTUMRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493182-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-01-22 EP disclosed
WO-2023177593-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
CN-102448957-A Compounds as cannabinoid receptor ligands ABBOTT LAB 2012-05-09 CN disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 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 (2 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-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CES2 444/4885GAA 2686/4885P2RX1 205/4885
US-20230286925-A1 PHENYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, MLLT1, WDR1 CES2 3365/4885GAA 4291/4885P2RX1 4525/4885

“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.