SCHEMBL21034872

SCHEMBL21034872

c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc4c(c3)c3ccccc3c3c5ccccc5c5ccccc5c43)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CYP1A1 P04798 12/20 0.41
CYP1B1 Q16678 12/20 0.41
CYP1A2 P05177 11/20 0.40
PRKDC P78527 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ABCB1 P08183 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2B6 P20813 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL21034869 0.95 CYP1A1 (0.42) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21034870 0.95 CYP1A1 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21035260 0.95 ALOX5 (0.40) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21035258 0.93 ALOX5 (0.39) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21034867 0.92 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2PRKDCCYP3A4
SCHEMBL21035257 0.90 CYP1A1 (0.40) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21035262 0.89 CYP1A1 (0.40) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21034888 0.88 ALOX5 (0.44) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL21034877 0.88 ALOX5 (0.44) ALOX5CYP1A1CYP1B1CYP1A2PRKDC
SCHEMBL16133257 0.86 ALOX5 (0.45) ALOX5CYP1A1CYP1A2PRKDCCYP3A4

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 ALOX5 496/4885CYP1A1 2543/4885CYP1B1 2125/4885
US-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT TCF4, LGR4, OR51E2 ALOX5 2414/4885CYP1A1 645/4885CYP1B1 1656/4885

“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.