SCHEMBL866457

SCHEMBL866457

C=C(CCC(O)COc1cccc2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP2C19 P33261 1/20 0.58
NR2E1 Q9Y466 5/20 0.57
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2D6 P10635 3/20 0.51
SLC6A4 P31645 3/20 0.51
HTR2B P41595 3/20 0.51
ADRB3 P13945 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR6 P50406 3/20 0.51
SCN1A P35498 2/20 0.51
SLC10A1 Q14973 2/20 0.51
SCN2A Q99250 2/20 0.51

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
SCHEMBL17204941 0.87 CYP1A2 (0.61) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL1244995 0.81 KDM4E (0.58) KMT2AKDM4EALDH1A1HTR1BTDP1
SCHEMBL865586 0.81 ADRB2 (0.51) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL819675 0.80 KDM4E (0.56) KMT2AKDM4EALDH1A1SLC6A4HTR1B
SCHEMBL131675 0.79 TBXA2R (0.46) CYP1A2MEN1KMT2AKDM4EADRB2
SCHEMBL1394219 0.79 CYP1A2 (0.83) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL29437208 0.79 CYP1A2 (0.83) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL867192 0.78 RAB9A (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7644940 0.77 KCNA3 (0.57) KMT2AKDM4EALDH1A1SLC6A4HTR1B
SCHEMBL15282571 0.77 KDM4E (0.43) CYP1A2MEN1KMT2AKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605143-B2 Resin composition for formation of optical waveguide, resin film for formation of optical waveguide which comprises the resin composition, and optical waveguide produced using the resin composition or the resin film HITACHI CHEMICALS COMPANY, LTD. (JP) 2017-03-28 US disclosed
US-9132069-B2 One component self-adhesive dental composition, process of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-15 US disclosed
US-8938135-B2 Method for manufacturing optical waveguide and optical waveguide manufactured by the method HITACHI CHEMICAL COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20140329205-A1 ONE COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2014-11-06 US disclosed
US-8787723-B2 Resin composition for forming optical waveguide, resin film for forming optical waveguide, and optical waveguide HITACHI CHEMICAL COMPANY, LTD. (JP) 2014-07-22 US disclosed
US-8632952-B2 Photosensitive resin composition, photosensitive resin cured matter, photosensitive resin film, photosensitive resin film cured matter and optical waveguide obtained by using the same HITACHI CHEMICAL COMPANY, LTD. (JP) 2014-01-21 US disclosed
EP-2045629-B1 RESIN COMPOSITION FOR OPTICAL WAVEGUIDE, RESIN FILM FOR OPTICAL WAVEGUIDE, AND OPTICAL WAVEGUIDE HITACHI CHEMICAL CO LTD (JP) 2013-09-04 EP disclosed
US-20130223803-A1 RESIN COMPOSITION FOR FORMATION OF OPTICAL WAVEGUIDE, RESIN FILM FOR FORMATION OF OPTICAL WAVEGUIDE WHICH COMPRISES THE RESIN COMPOSITION, AND OPTICAL WAVEGUIDE PRODUCED USING THE RESIN COMPOSITION OR THE RESIN FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20120076468-A1 RESIN COMPOSITION FOR FORMING OPTICAL WAVEGUIDE, RESIN FILM FOR FORMING OPTICAL WAVEGUIDE, AND OPTICAL WAVEGUIDE HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-03-29 US disclosed
US-8036511-B2 Resin composition for optical material, resin film for optical material, and optical waveguide HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-10-11 US disclosed
US-20110075981-A1 RESIN COMPOSITION FOR OPTICAL MATERIAL, RESIN FILM FOR OPTICAL MATERIAL, AND OPTICAL WAVEGUIDE MAKINO TATSUYA 2011-03-31 US disclosed
US-7853113-B2 Resin composition for optical material, resin film for optical material, and optical waveguide HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-12-14 US disclosed
US-20100221668-A1 RESIN COMPOSITION FOR OPTICAL MATERIAL, RESIN FILM FOR OPTICAL MATERIAL, AND OPTICAL WAVEGUIDE MAKINO TATSUYA 2010-09-02 US disclosed
US-7747129-B2 Resin composition for optical materials, resin film for optical material, and optical waveguide HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-06-29 US disclosed
US-7660503-B2 Flexible optical waveguide and optical module HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-02-09 US disclosed
US-20100027950-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN CURED MATTER, PHOTOSENSITIVE RESIN FILM, PHOTOSENSITIVE RESIN FILM CURED MATTER AND OPTICAL WAVEGUIDE OBTAINED BY USING THE SAME HITACHI CHEMICAL COMPANY, LTD. (JP) 2010-02-04 US disclosed
US-20090196559-A1 Resin Composition for Optical Materials, Resin Film for Optical Material, and Optical Waveguide HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-08-06 US disclosed
US-20090175585-A1 Flexible Optical Waveguide and Optical Module HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-07-09 US disclosed
EP-2045629-A1 RESIN COMPOSITION FOR OPTICAL MATERIAL, RESIN FILM FOR OPTICAL MATERIAL, AND OPTICAL WAVEGUIDE Hitachi Chemical Company, Ltd. (JP) 2009-04-08 EP disclosed
US-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 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-20140329205-A1 ONE COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF ESD, CAD, GSS CYP1A2 2456/4885MEN1 4502/4885KMT2A 2161/4885

“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.