SCHEMBL6743062

SCHEMBL6743062

CCC[C@@H](OCC1CO1)c1ccc(Cl)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.32
S1PR3 Q99500 2/20 0.31
ALDH1A1 P00352 2/20 0.31
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
FFAR1 O14842 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL10132755 1.00 DRD4 (0.32) DRD4S1PR3ALDH1A1TP53CYP3A4
SCHEMBL10132742 0.90 DRD4 (0.32) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL6742568 0.90 DRD4 (0.32) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL6742644 0.90 S1PR3 (0.32) DRD4S1PR3ALDH1A1TP53CYP3A4
SCHEMBL10132723 0.86 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6742996 0.86 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL13264012 0.85 DRD4 (0.32) DRD4ALDH1A1TP53CYP3A4TSHR
SCHEMBL6742283 0.82 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL6741725 0.82 ALDH1A1 (0.33) DRD4S1PR3ALDH1A1TP53CYP3A4
SCHEMBL10165731 0.82 ALDH1A1 (0.33) DRD4S1PR3ALDH1A1TP53CYP3A4

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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
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

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 DRD4 3432/4885S1PR3 974/4885ALDH1A1 2138/4885

“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.