SCHEMBL21165005

SCHEMBL21165005

CCCCC(CC)COC(=O)c1cc2csc(-c3cc4c(OCC(C)CC)c5sc(-c6scc7cc(C(=O)OCC(CC)CCCC)sc67)cc5c(OCC(C)CC)c4s3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20253253 0.95 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL17133195 0.85 ALDH1A1 (0.31) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL15713211 0.82
SCHEMBL16884884 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL20253254 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL20253227 0.77 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL17112416 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL18434805 0.75
SCHEMBL18461728 0.75 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL20253256 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA

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-10355214-B2 Copolymer and organic solar cell comprising same LG CHEM, LTD. (KR) 2019-07-16 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-10355214-B2 Copolymer and organic solar cell comprising same OR10J3, CRY1, STOM ALDH1A1 3326/4885CYP3A4 3385/4885CA2 387/4885

“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.