SCHEMBL9933648

SCHEMBL9933648

COc1cc2c3c(cc(O)c2c(OC)c1OC)C(C)(C)c1cc(-c2ccccc2)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
PLK1 P53350 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDR P35968 2/20 0.36
CHEK1 O14757 1/20 0.35
SLC10A2 Q12908 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.34
TUBB4A P04350 1/20 0.34

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
SCHEMBL1010811 0.85 EGFR (0.38) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL164197 0.85 EGFR (0.38) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL9934902 0.84 PPARG (0.42) ALDH1A1MAPTMEN1KMT2AKDR
SCHEMBL30104203 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDR
SCHEMBL23572575 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDR
SCHEMBL1187820 0.78 KDM4E (0.35) ALDH1A1HPGDMAPTACHEMEN1
SCHEMBL161727 0.77 ALOX5 (0.39) ALDH1A1HPGDMAPTBACE1MEN1
SCHEMBL1813707 0.76 MEN1 (0.42) ALDH1A1MAPTBACE1MEN1KMT2A
SCHEMBL1816275 0.76 KDM4E (0.36) ALDH1A1HPGDMAPTACHEMEN1
SCHEMBL1012466 0.75 FYN (0.37) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
EP-2651914-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 ALDH1A1 1362/4885HPGD 198/4885MAPT 562/4885

“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.