SCHEMBL6798063

SCHEMBL6798063

C/C=C/c1ccc(OC)cc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 5/20 0.36
TP53 P04637 4/20 0.36
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 9/20 0.34
CYP1A1 P04798 7/20 0.34
CYP1B1 Q16678 7/20 0.34
NFE2L2 Q16236 2/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL6791394 0.90 PKM (0.40) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL12202398 0.82 MGLL (0.40) ALDH1A1CYP3A4KDM4ELMNACYP1A2
SCHEMBL12203684 0.82 MGLL (0.40) ALDH1A1CYP3A4KDM4ELMNACYP1A2
SCHEMBL17226933 0.80 PKM (0.40) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL6796223 0.80 PKM (0.40) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL6796536 0.78 PKM (0.41) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL17226978 0.78 PKM (0.41) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL6798328 0.77 ALDH1A1 (0.35) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL10151091 0.77 MAPT (0.34) PKMTSHRALDH1A1TP53CYP3A4
SCHEMBL10132915 0.77 TP53 (0.38) PKMTSHRALDH1A1TP53CYP3A4

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 PKM 3505/4885TSHR 603/4885ALDH1A1 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.