SCHEMBL26404259

SCHEMBL26404259

c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5oc6c7ccccc7ccc6c45)cc4oc5ccccc5c34)c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 13/20 0.39
CYP1A2 P05177 13/20 0.39
CYP1B1 Q16678 12/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
PRKDC P78527 3/20 0.39
ABCC1 P33527 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2B6 P20813 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
SCHEMBL26404169 0.92 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ABCG2PRKDC
SCHEMBL24877078 0.90 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1ABCG2PRKDC
SCHEMBL26404283 0.90 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ABCG2PRKDC
SCHEMBL24877066 0.88 ABCG2 (0.40) CYP1A1CYP1A2ABCG2CYP3A4TSHR
SCHEMBL26404257 0.88 ABCG2 (0.40) CYP1A1CYP1A2ABCG2CYP3A4TSHR
SCHEMBL22706958 0.88 ALDH1A1 (0.37) CYP1A1CYP1A2CYP1B1ABCG2CYP3A4
SCHEMBL22546843 0.88 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1ABCG2PRKDC
SCHEMBL24876999 0.88 CA1 (0.38) CYP1B1ABCG2CYP3A4KDM4EALDH1A1
SCHEMBL27357135 0.87 ABCG2 (0.38) CYP1A1CYP1A2CYP1B1ABCG2PRKDC
SCHEMBL22541866 0.87 TDP1 (0.40) CYP1A1CYP1A2CYP1B1ABCG2PRKDC

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-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND LG CHEM, LTD. (KR) 2023-10-05 US disclosed
US-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND LG CHEM, LTD. (KR) 2023-10-05 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-20230320214-A1 ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANIC COMPOUND CYP1A1, AOX1, CYP1B1 CYP1A1 1/4885CYP1A2 12/4885CYP1B1 3/4885

“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.