SCHEMBL24601313

SCHEMBL24601313

Cc1cc(C)c(-c2ccc3c(c2)c2c4c5cc(-c6c(C)cc(C)cc6C)ccc5n5c6ccc(-c7c(C)cc(C)cc7C)cc6c(c6c7cc(-c8c(C)cc(C)cc8C)ccc7n3c26)c45)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL24601310 0.94 CYP1A2 (0.30) CYP1A2CYP2A6
SCHEMBL24601459 0.92 CYP1A2 (0.40) CYP1A2CYP2A6MEN1ALDH1A1MAPT
SCHEMBL26227197 0.88 CYP2A6 (0.40) CYP1A2CYP2A6ALDH1A1MAPTSMN1; SMN2
SCHEMBL24601307 0.88 CYP1A2 (0.32) CYP1A2CYP2A6
SCHEMBL25880428 0.85 DRD2 (0.30) DRD2
SCHEMBL24601615 0.84 CYP1A2 (0.39) CYP1A2CYP2A6MEN1ALDH1A1MAPT
SCHEMBL24601506 0.83 FLT3 (0.35) CYP1A2CYP2A6MAPT
SCHEMBL26227213 0.82 CYP1A2 (0.41) CYP1A2CYP2A6ALDH1A1MAPTKMT2A
SCHEMBL24900335 0.80 CSNK2A2 (0.34)
SCHEMBL21710652 0.79 ALKBH5 (0.42) CYP1A2CYP2A6MEN1ALDH1A1MAPT

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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 CYP1A2 4681/4885CYP2A6 4829/4885MEN1 1635/4885

“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.