SCHEMBL2722174

SCHEMBL2722174

OC(COCC1CCC(COCC(O)COc2ccccc2)CC1)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.48
CYP2D6 P10635 3/20 0.48
ADRB1 P08588 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
ADRB2 P07550 2/20 0.47
GAA P10253 1/20 0.47
BLM P54132 1/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL15096081 0.92 PRMT5 (0.52) DRD4L3MBTL1DRD2DRD3PRMT5
SCHEMBL2719889 0.84 MEN1 (0.41) DRD4PRMT5WDR77LMNACYP2D6
SCHEMBL11400908 0.82 LMNA (0.61) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL23589323 0.81 TDP1 (0.60) DRD4L3MBTL1DRD2DRD3KDM4E
SCHEMBL267463 0.80 LMNA (0.68) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL25688271 0.79 LMNA (0.57) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL11959217 0.76 LMNA (0.58) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL5087030 0.76 LMNA (0.53) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL23135358 0.76 LMNA (0.53) L3MBTL1KDM4ELMNACYP2D6ADRB1
SCHEMBL11957610 0.76 POLB (0.48) LMNAKMT2A

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 DRD4 2660/4885L3MBTL1 3828/4885DRD2 2664/4885
US-20130109777-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF KIT, KDM5C, PHAX DRD4 3106/4885L3MBTL1 3955/4885DRD2 2661/4885

“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.