SCHEMBL23960462

SCHEMBL23960462

CC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.47
CYP19A1 P11511 1/20 0.42
CASR P41180 1/20 0.41
PAX8 Q06710 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TACR1 P25103 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
DAO P14920 1/20 0.40
ESR1 P03372 1/20 0.39
PDCD1 Q15116 1/20 0.39
ESR2 Q92731 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL23960464 1.00 PDE2A (0.47) PDE2ACYP19A1CASRPAX8AKR1C3
SCHEMBL23960467 1.00 PDE2A (0.47) PDE2ACYP19A1CASRPAX8AKR1C3
SCHEMBL7893366 0.83 ESR1 (0.52) DAOESR1PDCD1ESR2CD274
SCHEMBL21910592 0.83 PDE2A (0.44) PDE2ACYP19A1CASRPAX8AKR1C3
SCHEMBL10204595 0.83 TACR1 (0.39) TACR1DAO
SCHEMBL17071860 0.83 ACP3 (0.55) PDE2ACASR
SCHEMBL2680513 0.83 PDE2A (0.47) PDE2ACES2CES1ESR1PDCD1
Chloromethane SCHEMBL27654425 0.81 PAX8 (0.48) CYP19A1PAX8CES2CES1CYP1A1
Ammonia Solution, Strong SCHEMBL7995946 0.81 ESR1 (0.50) DAOESR1PDCD1ESR2CD274
SCHEMBL14473442 0.81 ESR1 (0.67) PDE2ACES2CES1ESR1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
WO-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 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 (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-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG PDE2A 1704/4885CYP19A1 4054/4885CASR 2910/4885

“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.