SCHEMBL10326985

SCHEMBL10326985

Cc1cc(C)c(-c2ccc(C(O)(c3ccc(-c4c(C)cc(C)cc4C)cc3)C3CCCN3)cc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
MKNK1 Q9BUB5 1/20 0.33
IL1B P01584 3/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
MLYCD O95822 1/20 0.30
MEN1 O00255 1/20 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
SCHEMBL10326627 1.00 MAPK1 (0.55) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10326536 1.00 MAPK1 (0.55) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10326556 0.86 KDM4E (0.37) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10327059 0.86 KDM4E (0.37) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL17676909 0.85 MKNK1 (0.36) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL9230937 0.82 CYP2D6 (0.68) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10326921 0.82 CYP2D6 (0.68) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10326821 0.82 CYP2D6 (0.68) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL12296183 0.82 KDM4E (0.34) MAPK1KDM4ENPC1CYP1A2CYP2D6
SCHEMBL10326634 0.81 KDM4E (0.35) MAPK1KDM4ENPC1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
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
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO 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 MAPK1 1954/4885KDM4E 4195/4885NPC1 2005/4885

“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.