SCHEMBL6794073

SCHEMBL6794073

Brc1ccccc1COC[C@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2A13 Q16696 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CHRM3 P20309 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL732958 0.87 TDP1 (0.52) TDP1ALDH1A1GLATSHRTP53
SCHEMBL11219769 0.87 ALDH1A1 (0.41) IDO1TDP1ALDH1A1GLATSHR
SCHEMBL1565563 0.83 TDP1 (0.52) TDP1ALDH1A1GLATSHRTP53
SCHEMBL1556310 0.83 TSHR (0.44) IDO1TDP1ALDH1A1GLATSHR
SCHEMBL10364350 0.83 TDP1 (0.44) TDP1ALDH1A1GLATSHRTP53
SCHEMBL28407405 0.82 ALDH1A1 (0.56) TDP1ALDH1A1GLATSHRTP53
SCHEMBL18343985 0.79 HCRTR2 (0.45) IDO1ALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL10844477 0.79 IDO1 (0.47) IDO1TDP1ALDH1A1GLATSHR
SCHEMBL5185728 0.79 TDP1 (0.44) TDP1ALDH1A1GLATSHRTP53
SCHEMBL11664790 0.79 IDO1 (0.40) IDO1ALDH1A1TSHRSMN1; SMN2CYP2A13

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-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

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 IDO1 959/4885TDP1 4784/4885ALDH1A1 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.