SCHEMBL29918384

SCHEMBL29918384

OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LTA4H P09960 1/20 0.47
AR P10275 2/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
PLA2G7 Q13093 5/20 0.44
S1PR1 P21453 1/20 0.44
CHEK2 O96017 1/20 0.43
BRAF P15056 2/20 0.43
RAF1 P04049 1/20 0.43
KIF11 P52732 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL875664 1.00 IDO1 (0.50) IDO1PPARGPPARALTA4HAR
SCHEMBL29918301 0.88 IDO1 (0.48) IDO1PPARGPPARAARPLA2G7
SCHEMBL875568 0.88 IDO1 (0.48) IDO1PPARGPPARAARPLA2G7
SCHEMBL877311 0.86 PPARG (0.46) IDO1PPARGPPARAARPLA2G7
SCHEMBL875588 0.86 IDO1 (0.51) IDO1PPARGPPARAARPLA2G7
SCHEMBL18235655 0.85 AR (0.52) IDO1PPARGPPARAARPLA2G7
SCHEMBL18235653 0.85 PLA2G7 (0.46) IDO1PPARGPPARAARPLA2G7
SCHEMBL17884222 0.85 AR (0.52) IDO1PPARGPPARAARPLA2G7
SCHEMBL9108206 0.84 IDO1 (0.50) IDO1PPARGPPARAARPLA2G7
SCHEMBL17884158 0.84 IDO1 (0.50) IDO1PPARGPPARAARPLA2G7

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 IDO1 1563/4885PPARG 558/4885PPARA 372/4885

“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.