SCHEMBL29918293

SCHEMBL29918293

OCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
MAPK14 Q16539 2/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAOB P27338 2/20 0.47
EPHX2 P34913 1/20 0.46
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KIF11 P52732 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL9104674 1.00 LTA4H (0.50) LTA4HMAPK14FFAR1FFAR4MAOB
SCHEMBL875576 0.88 LTA4H (0.58) LTA4HMAPK14MAOBTLR8TLR7
SCHEMBL9108649 0.85 MAOB (0.64) LTA4HMAPK14MAOB
SCHEMBL8875225 0.84 LTA4H (0.52) LTA4HMAPK14FFAR1MAOBEPHX2
SCHEMBL27579381 0.83 LTA4H (0.59) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL921317 0.83 MAOB (0.61) LTA4HMAPK14MAOBKIF11ALDH1A1
SCHEMBL9104065 0.82 FFAR1 (0.48) LTA4HMAPK14FFAR1FFAR4MAOB
SCHEMBL14656068 0.82 EPAS1 (0.47) FFAR1FFAR4MAOBPPARGPPARA
SCHEMBL10879341 0.82 LTA4H (0.64) LTA4HMAPK14MAOBTLR8TLR7
Hydrochloric Acid SCHEMBL17136566 0.81 MAOB (0.64) LTA4HMAPK14MAOBKIF11

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 LTA4H 7/4885MAPK14 2078/4885FFAR1 226/4885

“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.