SCHEMBL4054986

SCHEMBL4054986

CC(C)(C)OC(=O)C=Cc1cc(C=CC(=O)OC(C)(C)C)cc(C=CC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL4054983 1.00 ESR1 (0.45) ESR1TTRAPPNR1H4CA12
SCHEMBL13845311 1.00 ESR1 (0.45) ESR1TTRAPPNR1H4CA12
SCHEMBL12535891 0.89 ESR1 (0.41) ESR1TTRAPPNR1H4CA12
SCHEMBL4055672 0.88 CA12 (0.53) ESR1TTRAPPNR1H4CA12
SCHEMBL4055668 0.88 CA12 (0.53) ESR1TTRAPPNR1H4CA12
SCHEMBL13845314 0.88 CA12 (0.53) ESR1TTRAPPNR1H4CA12
SCHEMBL14276415 0.87 ESR1 (0.41) ESR1TTRAPPNR1H4CA12
SCHEMBL24557862 0.86 BACE1 (0.55) ESR1TTRAPPMEN1MAPT
SCHEMBL26611379 0.86 BACE1 (0.55) ESR1TTRAPPMEN1MAPT
SCHEMBL30443749 0.84 ALOX5 (0.41) ESR1NR1H4CYP3A4ALOX5

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM ESR1 392/4885TTR 4216/4885APP 584/4885

“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.