SCHEMBL820350

SCHEMBL820350

Cn1c(-c2ccccc2)c(C(C)(C)C)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 3/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR3 P46089 1/20 0.47
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL16376930 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL13321059 0.76 KDM4E (0.65) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL10067380 0.76 CYP11B2 (0.68) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL822744 0.76 ALDH1A1 (0.59) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL13542540 0.76 GPR3 (0.52) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL20100535 0.75 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL10529112 0.74 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL4785226 0.74 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL29078839 0.74 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL28186733 0.74 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10CYP2C19HPGD

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 ALDH1A1 4283/4885LMNA 994/4885HSD17B10 3760/4885

“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.