SCHEMBL29918519

SCHEMBL29918519

OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.47
SCN9A Q15858 4/20 0.45
TRPV1 Q8NER1 1/20 0.45
AR P10275 2/20 0.43
IDO1 P14902 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
FFAR1 O14842 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 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
SCHEMBL9104816 1.00 PLA2G7 (0.47) PLA2G7SCN9ATRPV1ARIDO1
SCHEMBL14656196 0.90 AR (0.50) PLA2G7SCN9AARIDO1PPARG
SCHEMBL29918343 0.90 AR (0.50) PLA2G7SCN9AARIDO1PPARG
SCHEMBL14656091 0.85 HTR2A (0.47) PPARGPPARAFFAR1HTR2ASLC6A4
SCHEMBL9108685 0.85 PLA2G7 (0.51) PLA2G7TRPV1PPARGPPARA
SCHEMBL9901570 0.85 PLA2G7 (0.49) PLA2G7SCN9AARIDO1BRAF
SCHEMBL875568 0.84 IDO1 (0.48) PLA2G7TRPV1ARIDO1PPARG
SCHEMBL29918301 0.84 IDO1 (0.48) PLA2G7TRPV1ARIDO1PPARG
SCHEMBL876057 0.83 AR (0.55) PLA2G7AR
SCHEMBL9107362 0.83 SCN9A (0.45) PLA2G7SCN9AARIDO1PPARG

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 PLA2G7 18/4885SCN9A 3771/4885TRPV1 185/4885

“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.