SCHEMBL2720404

SCHEMBL2720404

OC(COCCOc1cccc(OCCOCC(O)COc2ccccc2)c1)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ACE2 Q9BYF1 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP2D6 P10635 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL10072289 0.92 LMNA (0.52) TSHRHIF1ASMN1; SMN2LMNAKDM4E
SCHEMBL14904491 0.88 PLA2G4B (0.53) MAPK1TSHRHIF1AKDM4E
SCHEMBL10072400 0.88 TSHR (0.61) MAPK1TSHRHIF1ASMN1; SMN2LMNA
SCHEMBL14904485 0.86 KCNA3 (0.50) SMN1; SMN2LMNAKDM4EL3MBTL1CYP2D6
SCHEMBL2721719 0.84 LMNA (0.42) MAPK1TSHRHIF1ALMNAKDM4E
SCHEMBL11400908 0.82 LMNA (0.61) TSHRHIF1ASMN1; SMN2LMNAKDM4E
SCHEMBL12222360 0.82 LMNA (0.53) MAPK1TSHRHIF1ASMN1; SMN2LMNA
SCHEMBL10713338 0.82 RECQL (0.53) TSHRHIF1ASMN1; SMN2LMNAKDM4E
SCHEMBL10711050 0.82 RECQL (0.53) TSHRHIF1ASMN1; SMN2LMNAKDM4E
SCHEMBL10710354 0.81 RECQL (0.57) TSHRHIF1ASMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023209463-A1 DENTAL COMPOSITION CONTAINING A RESORCINOL OR CATECHOL MOIETY CONTAINING COMPONENT AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-11-02 WO disclosed
EP-2670375-B1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2019-05-01 EP disclosed
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-17 US disclosed
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-07-17 US disclosed
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-12-15 US disclosed
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-12-15 US disclosed
US-9433563-B2 Dental compositions comprising a fatty mono(meth)acrylate SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-09-06 US disclosed
US-9433563-B2 Dental compositions comprising a fatty mono(meth)acrylate SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-09-06 US disclosed
US-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-8710113-B2 Dental composition, kit of parts and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-29 US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
EP-2481390-A1 Dental composition, method of producing and use thereof 3M Innovative Properties Company (US) 2012-08-01 EP disclosed
WO-2012003136-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 WO disclosed
EP-2401998-A1 Dental composition, kit of parts and use thereof 3M Innovative Properties Company (US) 2012-01-04 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 (4 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-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF PAM, PTMS, ACR MAPK1 4208/4885TSHR 3551/4885HIF1A 1518/4885
US-20160361238-A1 DENTAL COMPOSITIONS COMPRISING A FATTY MONO(METH)ACRYLATE MMAB, ELOVL5, ELOVL1 MAPK1 3767/4885TSHR 2838/4885HIF1A 1972/4885
US-10022306-B2 Dental compositions comprising a fatty mono(meth)acrylate MMAB, ELOVL5, ELOVL1 MAPK1 3767/4885TSHR 2838/4885HIF1A 1972/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX MAPK1 2853/4885TSHR 4041/4885HIF1A 1229/4885

“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.