SCHEMBL3246989

SCHEMBL3246989

COc1ccc(C=CC(=O)OC([SiH3])(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(C)C)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.48
CYP1A1 P04798 4/20 0.46
CYP1B1 Q16678 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 1/20 0.41
NFE2L2 Q16236 2/20 0.39
ALOX5 P09917 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 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
SCHEMBL28693380 0.82 ABCG2 (0.46) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL12002666 0.75 ABCG2 (0.45) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL22500105 0.74 ABCG2 (0.59) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL22500107 0.74 ABCG2 (0.59) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1883771 0.73 ABCG2 (0.62) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1883772 0.73 ABCG2 (0.62) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL4836334 0.73 ABCG2 (0.37) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1879319 0.73 ABCG2 (0.69) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1879320 0.73 ABCG2 (0.69) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL536158 0.71 LMNA (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6

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-20100280231-A1 WHITENING AGENT COMPRISING EQUOL OR ITS SACCHARIDE DERIVATIVE AS AN EFFECTIVE INGREDIENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2010-11-04 US disclosed
EP-2145615-A1 SKIN-LIGHTENING AGENT CONTAINING EQUOL COMPOUND AS ACTIVE INGREDIENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2010-01-20 EP 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-20100280231-A1 WHITENING AGENT COMPRISING EQUOL OR ITS SACCHARIDE DERIVATIVE AS AN EFFECTIVE INGREDIENT ENO1, GALE, UGGT1 ABCG2 224/4885CYP1A1 220/4885CYP1B1 345/4885

“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.