SCHEMBL13360470

SCHEMBL13360470

Cc1c(C(C)C)sc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.36
ALOX15 P16050 4/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 5/20 0.33
GAA P10253 3/20 0.33
HTT P42858 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BPTF Q12830 2/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 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
SCHEMBL13360484 0.98 ALOX15 (0.35) HSD17B10ALOX15KDM4ELMNAAPP
SCHEMBL19359600 0.96 ALDH1A1 (0.33) HSD17B10ALOX15KDM4ELMNAAPP
SCHEMBL13030214 0.79 HSD17B10 (0.36) HSD17B10ALOX15KDM4ELMNAAPP
SCHEMBL13241577 0.79 PNMT (0.33)
SCHEMBL13328153 0.78 ALOX15 (0.35) HSD17B10ALOX15KDM4ELMNAALDH1A1
SCHEMBL23710953 0.77 LIMK1 (0.32)
SCHEMBL13328146 0.75 ALOX15 (0.33) HSD17B10ALOX15KDM4EALDH1A1MAPT
SCHEMBL2096219 0.75 CYP1A2 (0.38) HSD17B10ALOX15KDM4ELMNAAPP
SCHEMBL13360490 0.75 KDM4E (0.37) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL22789338 0.73 HSD17B10 (0.38) HSD17B10ALOX15KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 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-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA HSD17B10 2094/4885ALOX15 4476/4885KDM4E 492/4885

“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.