SCHEMBL22635781

SCHEMBL22635781

[c]1ccc2c3c(cccc13)-c1cc3ccccc3cc1-2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.57
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CASP1 P29466 3/20 0.57
HPGD P15428 2/20 0.57
HIF1A Q16665 2/20 0.57
CASP7 P55210 2/20 0.57
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
CYP3A4 P08684 1/20 0.34
PABPC1 P11940 1/20 0.34
DNMT1 P26358 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 1/20 0.30
MCL1 Q07820 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
SCHEMBL490325 0.86 MAPK1 (0.44) MAPK1ALDH1A1TSHRHSD17B10CASP1
SCHEMBL454197 0.76 ALDH1A1 (0.61) MAPK1ALDH1A1TSHRHSD17B10CASP1
Benzo(K)Fluoranthene SCHEMBL29393074 0.74 ALDH1A1 (1.00) MAPK1ALDH1A1TSHRHSD17B10CASP1
Benzo(K)Fluoranthene SCHEMBL175484 0.74 ALDH1A1 (1.00) MAPK1ALDH1A1TSHRHSD17B10CASP1
SCHEMBL2414392 0.73
SCHEMBL18221915 0.73 ALDH1A1 (0.31) ALDH1A1HSD17B10HPGD
SCHEMBL2409154 0.73
SCHEMBL2413972 0.73 ALDH1A1 (0.32) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL2409240 0.73 ALDH1A1 (0.32) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL25401444 0.73 ALDH1A1 (0.33) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 CN 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S MAPK1 4149/4885ALDH1A1 1476/4885TSHR 3380/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S MAPK1 4149/4885ALDH1A1 1476/4885TSHR 3380/4885

“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.