SCHEMBL3198053

SCHEMBL3198053

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP2C19 P33261 1/20 0.57
NR2E1 Q9Y466 5/20 0.56
ADRB2 P07550 4/20 0.53
ADRB1 P08588 4/20 0.53
SIGMAR1 Q99720 4/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP2D6 P10635 3/20 0.53
SLC6A4 P31645 3/20 0.53
HTR2B P41595 3/20 0.53
ADRB3 P13945 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR6 P50406 3/20 0.53
SCN1A P35498 2/20 0.53
SLC10A1 Q14973 2/20 0.53
SCN2A Q99250 2/20 0.53

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
SCHEMBL865587 0.81 ADRB2 (0.53) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL16338482 0.81 ADRB2 (0.53) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL131676 0.80 LMNA (0.49) MEN1KMT2AKDM4EADRB2ADRB1
SCHEMBL4351803 0.80 LMNA (0.49) MEN1KMT2AKDM4EADRB2ADRB1
SCHEMBL21192730 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1SLC6A4
SCHEMBL819676 0.79 KDM4E (0.57) KMT2AKDM4EALDH1A1SLC6A4TSHR
SCHEMBL1394219 0.78 CYP1A2 (0.83) CYP1A2MEN1KMT2AKDM4ECYP2C19
SCHEMBL29437208 0.78 CYP1A2 (0.83) CYP1A2MEN1KMT2AKDM4ECYP2C19
Acetic Acid SCHEMBL10591918 0.77 NR2E1 (0.61) CYP1A2MEN1KMT2AKDM4ECYP2C19
Methacrylic Acid SCHEMBL27988595 0.75 NR2E1 (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329845-B2 Divided redox-curing type composition KURARAY NORITAKE DENTAL INC. (JP) 2012-12-11 US claimed
US-8362105-B2 Dental curable composition and kit for such dental curable composition SUN MEDICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-8297975-B2 Reaction-curable adhesive composition and dental adhesive kit SUN MEDICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20100292359-A1 Reaction-Curable Adhesive Composition and Dental Adhesive Kit SUN MEDICAL CO., LTD. (JP) 2010-11-18 US disclosed
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-7683106-B2 Primer for dental materials and pulp capping agent for dentin regeneration NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2010-03-23 US disclosed
US-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SUN MEDICAL CO., LTD. (JP) 2009-05-28 US disclosed
EP-1938781-A1 DENTAL CURABLE COMPOSITION AND KIT FOR SUCH DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-20060252846-A1 Primer for dental materials and pulp capping agent for dentin regeneration MITSUBISHI CHEMICAL CORPORATION (JP) 2006-11-09 US disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 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-20090137697-A1 Dental Curable Composition and Kit for Such Dental Curable Composition SETDB1, SETD1B, SETD2 CYP1A2 4737/4885MEN1 3298/4885KMT2A 445/4885

“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.