SCHEMBL21889355

SCHEMBL21889355

Clc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1-c1cccc2ccccc12)-c1ccc(-c2ccc4c5c(cccc25)-c2cc5ccccc5cc2-4)c2cccc-3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 2/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SERPINE1 P05121 1/20 0.33
ANPEP P15144 1/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL14680417 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14820667 0.88 THRA (0.35) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14680392 0.88 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL16357066 0.88 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL22328900 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14680277 0.84 CA12 (0.35) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL21851697 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14680469 0.81 CYP1A2 (0.33) ALDH1A1HSD17B10HPGDCYP1A2CYP2A6
SCHEMBL5077287 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL15028259 0.78 HKDC1 (0.40) ALDH1A1HSD17B10HPGDTSHRMAPK1

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-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object CANON KABUSHIKI KAISHA (JP) 2021-12-07 US disclosed
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-04-09 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-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object OCIAD1, OCIAD2, OR51E2 ALDH1A1 319/4885HSD17B10 2700/4885HPGD 4078/4885
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT OCIAD1, OCIAD2, OR51E2 ALDH1A1 319/4885HSD17B10 2700/4885HPGD 4078/4885

“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.