SCHEMBL16486014

SCHEMBL16486014

C=CC(=O)OC(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CTSK P43235 4/20 0.45
THRB P10828 1/20 0.44
SRR Q9GZT4 2/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
MDM2 Q00987 1/20 0.42
CPA1 P15085 2/20 0.41
CPA3 P15088 2/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
ACE P12821 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL17891296 0.89 MMP12 (0.43) CYP1A2CTSKTHRBACEPPARG
SCHEMBL961985 0.84 CYP1A2 (0.44) CYP1A2THRBSRRALPIPKM
SCHEMBL9646933 0.84 CTSK (0.47) CYP1A2CTSKTHRBSRRALPI
SCHEMBL1874095 0.84 PIN1 (0.50)
SCHEMBL14673835 0.83 MMP12 (0.47) THRBPPARGPPARAHCAR2
SCHEMBL3290998 0.83 ALPI (0.49) CYP1A2THRBSRRALPIPKM
SCHEMBL27801416 0.83 SRR (0.57) SRRACEPPARGPPARA
SCHEMBL3296251 0.83 CTSK (0.51) CTSKTHRBCTSLCTSB
SCHEMBL21351752 0.82 CYP1A2 (0.40) CYP1A2CTSKSRRALPIPKM
SCHEMBL27741432 0.82 CTSK (0.40) CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS CONTAMAC LIMITED (GB) 2016-07-07 US disclosed
US-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS CONTAMAC LIMITED (GB) 2016-07-07 US disclosed
EP-3033366-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS Contamac Limited (GB) 2016-06-22 EP disclosed
WO-2015022511-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS CONTAMAC LTD (GB) 2015-02-19 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-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS NR2E3, NR1I2, NR1I3 CYP1A2 667/4885CTSK 4687/4885THRB 2319/4885

“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.