SCHEMBL8512746

SCHEMBL8512746

COc1ccccc1-c1ccc2c(c1)C(C)(C)c1cc(O)c3cc(OC)c(N4CCCC(CO)C4)cc3c1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
PTPN1 P18031 1/20 0.35
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MTOR P42345 1/20 0.33
PAX8 Q06710 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR3C1 P04150 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 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
SCHEMBL1817074 0.93 HTT (0.38) HTTPTPN1PDK2CYP1A2CYP3A4
SCHEMBL8511775 0.87 PDK2 (0.39) HTTPTPN1PDK2ALDH1A1CYP1A2
SCHEMBL8513816 0.80 PDK2 (0.47) PTPN1PDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL30125488 0.80 PDK2 (0.47) PTPN1PDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL1816275 0.79 KDM4E (0.36) PTPN1ALDH1A1MAPTMEN1TSHR
SCHEMBL1813140 0.78 PTPN1 (0.37) PTPN1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL1814761 0.78 ALDH1A1 (0.36) PTPN1PDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL1812200 0.75 PDK2 (0.48) PTPN1PDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL1816802 0.75 ALDH1A1 (0.40) HTTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8514916 0.75 PDE3B (0.31) MTORPDE3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139552-B2 Indeno-fused naphthopyrans having ethylenically unsaturated groups TRANSITIONS OPTICAL, INC. (US) 2015-09-22 US disclosed
WO-2013090220-A1 INDENO-FUSED NAPHTHOPYRANS HAVING ETHYLENICALLY UNSATURATED GROUPS PPG INDUSTRIES, INC. (US) 2013-06-20 WO disclosed
US-20120132870-A1 Indeno-Fused Naphthopyrans Having Ethylenically Unsaturated Groups TRANSITIONS OPTICAL INC. (US) 2012-05-31 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-20120132870-A1 Indeno-Fused Naphthopyrans Having Ethylenically Unsaturated Groups ACR, INTS6, B3GNT2 HTT 1040/4885PTPN1 1089/4885PDK2 2446/4885

“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.