SCHEMBL1123797

SCHEMBL1123797

C=C(C)C(=O)Oc1ccc(C(C)(C)c2ccc(OOCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
KMT2A Q03164 5/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 5/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL14173071 0.87 ELANE (0.56) ELANEKMT2AATMKDM4EPOLB
SCHEMBL30971 0.87 ELANE (0.56) ELANEKMT2AATMKDM4EPOLB
SCHEMBL6469976 0.85 ELANE (0.42) ELANEKMT2AATMKDM4EPOLB
SCHEMBL9016023 0.85 KDM4E (0.33) ELANEKMT2AKDM4EPOLBALDH1A1
Urethane SCHEMBL2937616 0.82 ELANE (0.43) ELANEKMT2AATMKDM4EPOLB
Methacrylic Acid SCHEMBL1123736 0.82 ESR1 (0.43) KMT2AKDM4EPOLBALDH1A1HTT
SCHEMBL3899570 0.82 ELANE (0.51) ELANEKMT2AATMKDM4EPOLB
SCHEMBL25926581 0.82 ELANE (0.51) ELANEKMT2AATMKDM4EPOLB
Methacrylic Acid SCHEMBL8101356 0.82 ELANE (0.55) ELANEKMT2AATMKDM4EPOLB
SCHEMBL8585795 0.82 ELANE (0.51) ELANEKMT2AATMKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284205-B1 METHOD FOR PRODUCING AN OPTICAL COMPONENT SOKEN KAGAKU KK (JP) 2016-11-02 EP disclosed
US-20140159261-A1 METHOD OF PRODUCING OPTICAL COMPONENT SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2014-06-12 US disclosed
US-20110077318-A1 RESIN COMPOSITION FOR PRODUCING OPTICAL COMPONENT AND USE THEREOF OMRON CORPORATION (JP) 2011-03-31 US disclosed
EP-2284205-A1 RESIN COMPOSITION FOR MANUFACTURING OPTICAL COMPONENT AND APPLICATION THEREOF Omron Corporation (JP) 2011-02-16 EP disclosed
US-7393880-B2 Radically polymerizable composition resulting in shock resistant organic lenses ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2008-07-01 US disclosed
US-20050107537-A1 Composition capable of free radical polymerization resulting in shockproof organic glass materials ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2005-05-19 US disclosed
EP-1137681-B1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INT (FR) 2005-01-12 EP disclosed
US-6518393-B2 Thio(meth)acrylate monomer, high Abbe number monomer, such as 4-tert-butylcyclohexyl methacrylate, an aromatic polyvinyl monomer such as divinylbenzene, and a polythiol such as bis(2-mercaptoethyl)sulfide ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-02-11 US disclosed
US-20020115819-A1 Polymerizable compositions for manufacturing transparent polymeric substrates, resulting transparent polymeric substrates and their applications in the optical field ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-08-22 US disclosed
EP-1137681-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2001-10-04 EP disclosed
WO-2001025302-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-04-12 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-20110077318-A1 RESIN COMPOSITION FOR PRODUCING OPTICAL COMPONENT AND USE THEREOF CAD, RER1, ALG3 ELANE 1367/4885KMT2A 2563/4885ATM 2189/4885

“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.