SCHEMBL19087103

SCHEMBL19087103

COc1ccc2ccc(Cc3ccc4ccccc4c3)cc2c1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.55
PDE10A Q9Y233 7/20 0.53
MAPT P10636 1/20 0.49
NQO1 P15559 1/20 0.47
CA2 P00918 1/20 0.47
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL13021645 0.79 NQO1 (0.64) MAPTNQO1CA2CYP1A2CYP2A6
SCHEMBL2608797 0.78 DHFR (0.44) MAPTCA2GAAMEN1KMT2A
SCHEMBL25205 0.76 MAPT (0.67) MAPTNQO1CYP1A2CYP2A6MEN1
SCHEMBL9634809 0.75 LTA4H (0.68) CETPPDE10ACYP1A2CYP2A6MEN1
SCHEMBL25798810 0.74 PDE10A (0.59) CETPPDE10ACYP1A2CYP2A6MEN1
SCHEMBL2838141 0.74 CYP1A2 (0.65) CYP1A2CYP2A6KMT2A
SCHEMBL2614745 0.73 CA12 (0.54) MAPTNQO1CA2CYP1A2CYP2A6
SCHEMBL20414572 0.72 CFD (0.51) CA2GAA
SCHEMBL5198075 0.72 MAPT (0.51) CETPPDE10AMAPTNQO1
SCHEMBL12657996 0.71 ACHE (0.56) MAPTNQO1GAACYP1A2CYP2A6

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-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 US 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 (2 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-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL CETP 4814/4885PDE10A 1638/4885MAPT 459/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP CETP 4701/4885PDE10A 1616/4885MAPT 900/4885

“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.