SCHEMBL463760

SCHEMBL463760

C=Cc1ccc(C(=O)OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 6/20 0.46
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NLRP1 Q9C000 1/20 0.44
MEN1 O00255 1/20 0.44
NTSR1 P30989 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41

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
SCHEMBL440528 0.90 ALDH1A1 (0.50) TDP1MAPTALDH1A1GAAKMT2A
SCHEMBL13079826 0.84 KMT2A (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL8016262 0.84 KMT2A (0.58) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL6654554 0.84 TDP1 (0.70) TDP1MAPTALDH1A1GAAKMT2A
SCHEMBL248492 0.84 TDP1 (0.70) TDP1MAPTALDH1A1GAAKMT2A
SCHEMBL440529 0.83 F2 (0.48) TDP1MAPTALDH1A1KMT2ALMNA
SCHEMBL4900360 0.82 ALDH1A1 (0.67) TDP1MAPTALDH1A1GAAKMT2A
SCHEMBL27618266 0.81 TNFRSF1A (0.46) MAPTALDH1A1KMT2APKMHTT
SCHEMBL9717505 0.81 MAPT (0.55) TDP1MAPTALDH1A1KDM4EGAA
SCHEMBL411494 0.81 ALDH1A1 (0.48) MAPTALDH1A1KDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637589-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-01-28 US disclosed
US-8399539-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-03-19 US disclosed
US-20120065348-A1 SOLUBLE SILICONE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 2012-03-15 US disclosed
US-8080622-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-12-20 US disclosed
US-20110077322-A1 Silicone Prepolymer Solutions TORAY INDUSTRIES, INC. (JP) 2011-03-31 US disclosed
US-7897654-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE INC. (US) 2011-03-01 US disclosed
US-20090171026-A1 SILICONE PREPOLYMER SOLUTIONS JOHNSON & JOHNSON VISION CARE, INC. 2009-07-02 US disclosed
US-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS JOHNSON & JOHNSON VISION CARE, INC. 2009-01-01 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-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS NOS3, NOS2, PCNA TDP1 948/4885MAPT 4352/4885ALDH1A1 2292/4885

“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.