SCHEMBL10165904

SCHEMBL10165904

CC[C@@H](OCC1CO1)c1cccc(Cl)c1Br

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6742861 1.00 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL10132770 0.90 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17227009 0.90 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6743199 0.86 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17227020 0.84 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741809 0.84 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13264160 0.84 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6743066 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL17226939 0.84 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742839 0.83 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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 2584/4885TP53 3433/4885CYP3A4 792/4885

“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.