SCHEMBL6741764

SCHEMBL6741764

CCC[C@@H](OCC1CO1)c1cccc(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
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
SCHEMBL10132713 1.00 ALDH1A1 (0.39) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL6743199 0.89 ALDH1A1 (0.41) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL6742313 0.87 ALDH1A1 (0.33) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL10132719 0.87 ALDH1A1 (0.33) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL17227009 0.87 ALDH1A1 (0.33) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL10132770 0.87 ALDH1A1 (0.33) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL6742283 0.86 ALDH1A1 (0.38) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL10132732 0.86 ALDH1A1 (0.37) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL6741844 0.86 ALDH1A1 (0.37) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL13263926 0.84 ALDH1A1 (0.39) ALDH1A1GLASMN1; SMN2TP53CYP3A4

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
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL 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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885SMN1; SMN2 1932/4885

“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.