SCHEMBL7900085

SCHEMBL7900085

C=C(CP(=O)(OCC)OCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19008259 0.92 POLB (0.45) POLBNPSR1MAPTALDH1A1NR1I2
SCHEMBL1305579 0.81 POLB (0.59) POLBNPSR1MAPTALDH1A1NR1I2
SCHEMBL7738531 0.77 TSHR (0.44) POLBNPSR1MAPTALDH1A1NR1I2
SCHEMBL7738533 0.75 NR1I2 (0.53) POLBNPSR1MAPTALDH1A1NR1I2
SCHEMBL735674 0.75 TSHR (0.52) POLBNPSR1MAPTNR1I2MAPK1
SCHEMBL514913 0.74 NFE2L2 (0.43) POLBNPSR1MAPTNR1I2MAPK1
SCHEMBL2902839 0.74 NR1I2 (0.42) POLBNPSR1MAPTNR1I2MAPK1
SCHEMBL514914 0.74 NFE2L2 (0.43) POLBNPSR1MAPTNR1I2MAPK1
SCHEMBL2902845 0.74 NR1I2 (0.42) POLBNPSR1MAPTNR1I2MAPK1
SCHEMBL9714149 0.74 POLB (0.45) POLBNPSR1MAPTALDH1A1NR1I2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US claimed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 EP claimed
US-10982071-B2 Sulfonic acid esters as regulators in radical polymerization reactions IVOCLAR VIVADENT AG (LI) 2021-04-20 US disclosed
US-10736820-B2 Materials which can be cured by chain transfer polymerization IVOCLAR VIVADENT AG (LI) 2020-08-11 US disclosed
US-10342744-B2 Compositions with controlled network structure IVOCLAR VIVADENT AG (LI) 2019-07-09 US disclosed
EP-3292157-B1 SULFONIC ACID ESTER AS REGULATOR IN RADICAL POLYMERIZATION REACTIONS IVOCLAR VIVADENT AG (LI) 2019-04-24 EP disclosed
EP-3090722-B1 DENTAL MATERIALS WHICH CAN BE HARDENED BY CHAIN-TRANSFER POLYMERIZATION IVOCLAR VIVADENT AG (LI) 2019-01-09 EP disclosed
US-20180142082-A1 SULFONIC ACID ESTERS AS REGULATORS IN RADICAL POLYMERIZATION REACTIONS IVOCLAR VIVADENT AG (LI) 2018-05-24 US disclosed
US-20180142082-A1 SULFONIC ACID ESTERS AS REGULATORS IN RADICAL POLYMERIZATION REACTIONS IVOCLAR VIVADENT AG (LI) 2018-05-24 US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 US disclosed
EP-2965740-A1 Dental materials with debonding on demand properties Ivoclar Vivadent AG (LI) 2016-01-13 EP disclosed
US-6197905-B1 VINYL ETHER CHAIN TRANSFER AGENT TERMINATES THE GROWTH OF THE POLYMER CHAIN BY ADDITION TO THE PROPAGATING POLYMER RADICAL FOLLOWED BY EXPULSION OF A RADICAL WHICH THEN INITIATES ANOTHER POLYMER CHAIN COMMONWEALTH SCIENTIFIC & INDUSTRIAL RESARCH ORGANIZATION (AU) 2001-03-06 US disclosed
US-5932675-A Free-radical chain transfer polymerization process COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-08-03 US disclosed
US-5874511-A CHAIN TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US disclosed
EP-0333758-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMW SCIENT IND RES ORG (AU) 1995-11-02 EP disclosed
US-5385996-A Control of molecular weight and end-group functionality of polymers COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-01-31 US disclosed
EP-0333758-A4 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1990-05-14 EP disclosed
EP-0333758-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS. COMMW SCIENT IND RES ORG (AU) 1989-09-27 EP disclosed
WO-1988004304-A1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY OF POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1988-06-16 WO 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 (3 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-10342744-B2 Compositions with controlled network structure NCLN, RAD51, SMCHD1 POLB 429/4885NPSR1 4579/4885MAPT 894/4885
US-10736820-B2 Materials which can be cured by chain transfer polymerization H1-10, CNOT1, C1S POLB 857/4885NPSR1 1425/4885MAPT 2240/4885
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES DCLRE1A, RAD51, TERB1 POLB 407/4885NPSR1 3402/4885MAPT 392/4885

“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.