SCHEMBL10326342

SCHEMBL10326342

Cc1cc(C)c(-c2ccc(C(O[Si](C)(C)C)(c3ccc(-c4c(C)cc(C)cc4C)cc3)[C@@H]3CCCN3)cc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
IL1B P01584 2/20 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
SCHEMBL10326634 1.00 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL12996884 1.00 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326340 0.85 CYP1A2 (0.41) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL3008935 0.82 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL5523455 0.82 KDM4E (0.38) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326985 0.81 MAPK1 (0.55) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326627 0.81 MAPK1 (0.55) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326633 0.81 CYP1A2 (0.48) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326536 0.81 MAPK1 (0.55) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326556 0.81 KDM4E (0.37) KDM4ENPC1CYP1A2CYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 KDM4E 4195/4885NPC1 2005/4885CYP1A2 1183/4885

“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.