SCHEMBL24276249

SCHEMBL24276249

Cc1cc(C#N)ccc1-c1cc2c3cc4c(cc3c(-c3ccc(C#N)cc3C)cc2c2cc3c(cc12)-c1cc2ccccc2c2cccc-3c12)-c1cc2ccccc2c2cccc-4c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CASP1 P29466 2/20 0.50
HIF1A Q16665 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
EGLN2 Q96KS0 3/20 0.36
TP53 P04637 1/20 0.34
CASP7 P55210 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PABPC1 P11940 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
SCHEMBL24276248 1.00 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL16945545 0.89 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL23191186 0.87 EGLN2 (0.40) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL16949308 0.84 EGLN2 (0.38) EGLN2CYP11B2CYP11B1MAPTKDM4E
SCHEMBL16949326 0.84 EGLN2 (0.38) EGLN2CYP11B2CYP11B1MAPTKDM4E
SCHEMBL16949313 0.84 EGLN2 (0.38) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL23191300 0.83 EGLN2 (0.35) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL16945573 0.83 EGLN2 (0.36) ALDH1A1EGLN2CYP11B2CYP11B1MAPT
SCHEMBL16945563 0.83 EGLN2 (0.36) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL16945572 0.83 EGLN2 (0.36) ALDH1A1EGLN2CYP11B2CYP11B1MAPT

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-20220081378-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2022-03-17 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-20220081378-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CCNL2, ORC3, OR51E2 ALDH1A1 1723/4885HPGD 4196/4885HSD17B10 3282/4885

“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.