SCHEMBL29918343

SCHEMBL29918343

OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
PLA2G7 Q13093 4/20 0.48
SCN9A Q15858 4/20 0.47
IDO1 P14902 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
BRAF P15056 2/20 0.42
KDR P35968 2/20 0.42
FFAR1 O14842 1/20 0.42
S1PR1 P21453 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
KIF11 P52732 1/20 0.40

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
SCHEMBL14656196 1.00 AR (0.50) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL9104816 0.90 PLA2G7 (0.47) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL29918519 0.90 PLA2G7 (0.47) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL18235655 0.89 AR (0.52) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL17884222 0.89 AR (0.52) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL875984 0.88 AR (0.53) ARPLA2G7BRAFKDRFFAR1
SCHEMBL9901570 0.87 PLA2G7 (0.49) ARPLA2G7SCN9AIDO1BRAF
SCHEMBL17884223 0.86 AR (0.52) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL14670088 0.86 AR (0.49) ARPLA2G7SCN9AIDO1PPARG
SCHEMBL14661736 0.85 HTR2A (0.47) SCN9AHTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2023-02-09 US disclosed
EP-4056571-A1 TRICYCLIC DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-09-14 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-20230044787-A1 TRICYCLE DIHYDROIMIDAZOPYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF LYPLAL1, LYPLA1, LYPLA2 AR 3285/4885PLA2G7 18/4885SCN9A 3771/4885

“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.