SCHEMBL6742414

SCHEMBL6742414

CCC[C@@H](OCC1CO1)c1cccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
PNMT P11086 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GLA P06280 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
DRD2 P14416 2/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A13 Q16696 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL17227009 0.87 ALDH1A1 (0.33) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL10132770 0.87 ALDH1A1 (0.33) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL5183664 0.80 ALDH1A1 (0.39) CYP3A4CYP1A2ALDH1A1GLALMNA
SCHEMBL6741764 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL13263926 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL10132713 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL6742283 0.78 ALDH1A1 (0.38) CYP3A4CYP1A2ALDH1A1GLASMN1; SMN2
SCHEMBL6744725 0.77 KDM4E (0.37) ALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL10132719 0.77 ALDH1A1 (0.33) CYP3A4ALDH1A1GLASMN1; SMN2TP53
SCHEMBL13263928 0.77 ALDH1A1 (0.33) CYP3A4ALDH1A1GLASMN1; SMN2TP53

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 6 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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP3A4 373/4885CYP1A2 649/4885CYP2D6 320/4885

“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.