SCHEMBL10165901

SCHEMBL10165901

Cc1cccc([C@@H](C)OCC2CO2)c1/C=C/CCC=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CXCR5 P32302 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
SCHEMBL10165602 0.91
SCHEMBL10151319 0.88 PDE9A (0.34) ALDH1A1GLA
SCHEMBL6795766 0.87 ALDH1A1 (0.32) ALDH1A1GLA
SCHEMBL6794677 0.87 ALDH1A1 (0.34) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL10132905 0.83 NLRP3 (0.35) ALDH1A1CXCR5
SCHEMBL6742973 0.83 NLRP3 (0.35) ALDH1A1CXCR5
SCHEMBL2672582 0.81 MGLL (0.38) ALDH1A1GLASMN1; SMN2
SCHEMBL2672579 0.81 MGLL (0.38) ALDH1A1GLASMN1; SMN2
SCHEMBL2672583 0.81 MGLL (0.38) ALDH1A1GLASMN1; SMN2
SCHEMBL6798786 0.78 TDP1 (0.35) ALDH1A1GLATP53CYP3A4TSHR

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-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 ALDH1A1 2584/4885GLA 3204/4885TP53 3433/4885

“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.