SCHEMBL9934896

SCHEMBL9934896

COc1cccc2c(-c3ccc(-c4ccccc4)cc3)c(C(C)(C)O)cc(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANTXR2 P58335 1/20 0.39
PDE4B Q07343 5/20 0.37
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PPARG P37231 2/20 0.37
ACLY P53396 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL6823069 0.80 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL9933239 0.79 PDE10A (0.49) ANTXR2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL9898544 0.77 KCNA5 (0.41) PDE4BPDE4APDE4CPDE4DHDAC4
SCHEMBL15763606 0.76 LMNA (0.39) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7813325 0.75 PDE10A (0.51) ANTXR2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL9934902 0.71 PPARG (0.42) ANTXR2PPARGACLYALDH1A1MAPT
SCHEMBL28390368 0.71 MAOA (0.45) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL26513225 0.71 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDCDK1
SCHEMBL8530835 0.70 FGFR2 (0.40) TP53ALDH1A1CYP3A4MAPTHPGD
SCHEMBL1009822 0.70 SLC2A1 (0.39) TP53ALDH1A1CYP3A4MAPTHPGD

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 ANTXR2 3448/4885PDE4B 2855/4885PDE4A 2843/4885

“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.