SCHEMBL10072289

SCHEMBL10072289

OC(COCCOc1ccc(OCCOCC(O)COc2ccccc2)cc1)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 3/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.48
RECQL P46063 2/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14904485 0.94 KCNA3 (0.50) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL2720404 0.92 MAPK1 (0.50) LMNASMN1; SMN2CYP2D6ADRB2ADRB1
SCHEMBL11400908 0.87 LMNA (0.61) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL10711050 0.86 RECQL (0.53) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL10713338 0.86 RECQL (0.53) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL12222360 0.86 LMNA (0.53) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL10710354 0.86 RECQL (0.57) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL12787423 0.86 LMNA (0.56) LMNASMN1; SMN2MAPTHTTCYP2D6
SCHEMBL7944061 0.86 ALDH1A1 (0.52) LMNASMN1; SMN2HTTCYP2D6ADRB2
Febuprol SCHEMBL1229179 0.85 PLA2G4B (0.57) LMNASMN1; SMN2MAPTHTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670375-B1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2019-05-01 EP 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 (2 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 LMNA 489/4885SMN1; SMN2 4797/4885MAPT 2481/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX LMNA 57/4885SMN1; SMN2 4651/4885MAPT 2679/4885

“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.