SCHEMBL25899334

SCHEMBL25899334

OBOc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
AGXT P21549 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PTPN7 P35236 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3437809 0.93 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL17752309 0.84 ALDH1A1 (0.48) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL25818647 0.83 HPRT1 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL26427387 0.82 CYP2A6 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL25818597 0.82 ALDH1A1 (0.50) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL25626309 0.81 ESR1 (0.53) CYP1A2TDP1CYP3A4KMT2AMEN1
SCHEMBL25626311 0.80 ESR1 (0.53) CYP1A2CYP3A4ALOX5
SCHEMBL25608351 0.80 CYP1A2 (0.41) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL26427439 0.79 CA1 (0.50) CA1CA2
SCHEMBL8402770 0.78 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230247899-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2023-08-03 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 (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-20230247899-A1 ORGANIC ELECTRONIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREFOR SLC39A11, LEF1, SLC39A14 CYP1A2 872/4885CYP2A6 1893/4885TDP1 1151/4885

“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.