SCHEMBL13640810

SCHEMBL13640810

COc1cccc2occ(-c3ccc(C)cc3)c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
CYP3A4 P08684 5/20 0.56
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 5/20 0.56
HSD17B10 Q99714 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
MAOA P21397 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFKB2 Q00653 2/20 0.46

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
SCHEMBL13267957 0.89 CYP3A4 (0.71) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL13640727 0.83 KDM4E (0.67) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL29651565 0.81 KDM4E (0.56) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL1742326 0.76 KDM4E (0.52) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL13640733 0.76 CYP3A4 (0.81) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL28467498 0.75 MAOA (0.54) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL11622418 0.74 MAOB (0.54) MAOAMAOB
SCHEMBL571121 0.74 SMN1; SMN2 (0.72) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL30176086 0.74 ABCB1 (0.59) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10
SCHEMBL13640726 0.73 MIF (0.61) KDM4ECYP3A4ALDH1A1RAB9AHSD17B10

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-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2012-11-08 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-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 KDM4E 242/4885CYP3A4 557/4885ALDH1A1 1204/4885

“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.