SCHEMBL21717629

SCHEMBL21717629

Cc1cc(-c2ccccc2)cc(C)c1-c1c2ccccc2cc2c1c1cccc3c4c(-c5c(C)cc(-c6ccccc6)cc5C)c5ccccc5cc4n2c13

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
HTR6 P50406 2/20 0.35
PTGER4 P35408 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
PDE10A Q9Y233 1/20 0.32
TOP2A P11388 1/20 0.32
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL21718055 0.87 CYP1A2 (0.41) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL21718319 0.86 HTR6 (0.38) CYP1A2HTR6ALDH1A1HPGDHSD17B10
SCHEMBL21718040 0.86 CA12 (0.40) CYP1A2CYP2A6HTR6GPR84KDM4E
SCHEMBL21718304 0.84 GPR84 (0.38) CYP1A2HTR6ALDH1A1HPGDHSD17B10
SCHEMBL21718315 0.84 GPR84 (0.38) CYP1A2HTR6ALDH1A1HPGDHSD17B10
SCHEMBL19563754 0.84 ALOX5 (0.38) CYP1A2HTR6ALDH1A1HPGDHSD17B10
SCHEMBL21718046 0.83 GPR84 (0.35) CYP1A2CYP2A6HTR6GPR84KDM4E
SCHEMBL21718052 0.83 HTR6 (0.35) CYP1A2HTR6ALDH1A1HPGDGPR84
SCHEMBL22679441 0.83 CYP1A2 (0.45) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL21710717 0.81 HTR6 (0.35) CYP1A2HTR6ALDH1A1HPGDHSD17B10

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-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-10-08 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 CYP1A2 1303/4885CYP2A6 3452/4885HTR6 4744/4885
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, RPS12 CYP1A2 1231/4885CYP2A6 3012/4885HTR6 2915/4885

“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.