SCHEMBL6791394

SCHEMBL6791394

C/C=C/c1cc(OC)ccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 5/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 4/20 0.33
TSHR P16473 4/20 0.33
CYP1A2 P05177 3/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 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
SCHEMBL6798063 0.90 PKM (0.37) PKMPTPN1ALDH1A1HPGDGAA
SCHEMBL12201710 0.83 L3MBTL1 (0.41) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL17226936 0.83 L3MBTL1 (0.41) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL6796536 0.81 PKM (0.41) PKMPTPN1ALDH1A1HPGDGAA
SCHEMBL17226978 0.81 PKM (0.41) PKMPTPN1ALDH1A1HPGDGAA
SCHEMBL12203684 0.77 MGLL (0.40) ALDH1A1HPGDKDM4ECYP1A2MAPT
SCHEMBL12202398 0.77 MGLL (0.40) ALDH1A1HPGDKDM4ECYP1A2MAPT
SCHEMBL17226933 0.77 PKM (0.40) PKMPTPN1ALDH1A1HPGDGAA
SCHEMBL6796223 0.77 PKM (0.40) PKMPTPN1ALDH1A1HPGDGAA
SCHEMBL2672247 0.71 TDO2 (0.39) KDM4EMEN1KMT2AHTT

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 3505/4885PTPN1 3507/4885ALDH1A1 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.