SCHEMBL21034898

SCHEMBL21034898

c1ccc2c(c1)ccc1c3cc(-c4ccc5c(c4)c4ccccc4c4c6ccccc6c6ccccc6c54)ccc3oc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.43
CYP1B1 Q16678 10/20 0.43
CYP1A2 P05177 9/20 0.42
KDM4E B2RXH2 3/20 0.42
PRKDC P78527 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE5A O76074 1/20 0.42
TP53 P04637 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
TACR2 P21452 1/20 0.42
TBXAS1 P24557 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
SCHEMBL16133277 0.98 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21035492 0.98 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL20996055 0.97 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL16133264 0.96 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21035488 0.96 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21035489 0.96 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL24362839 0.94 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL16133261 0.94 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21034883 0.93 ARSA (0.44) CYP1A1CYP1B1CYP1A2KDM4EPRKDC
SCHEMBL21034888 0.92 ALOX5 (0.44) CYP1A1CYP1B1CYP1A2KDM4EPRKDC

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-20230096132-A1 CYCLOALKANE-FUSED POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-03-30 US disclosed
US-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-05-30 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-20230096132-A1 CYCLOALKANE-FUSED POLYCYCLIC AROMATIC COMPOUND LAGE3, ELOC, ELOB CYP1A1 2543/4885CYP1B1 2125/4885CYP1A2 3264/4885
US-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT TCF4, LGR4, OR51E2 CYP1A1 645/4885CYP1B1 1656/4885CYP1A2 808/4885

“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.