SCHEMBL6305647

SCHEMBL6305647

C/C=C/C=C(\C#N)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
MAPT P10636 7/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
RAB9A P51151 5/20 0.51
GAA P10253 4/20 0.51
NPC1 O15118 4/20 0.51
USP2 O75604 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALDH1A1 P00352 7/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL6305649 1.00 CYP2C9 (0.57) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL28882651 0.93 CYP2C9 (0.54) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL4906704 0.85 CYP2C9 (0.69) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL4961560 0.85 CYP2C9 (0.69) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL2755215 0.85 CYP2C9 (0.69) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL28638384 0.83 CYP2C9 (0.54) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL7110384 0.81 PTP4A1 (0.44) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL7110389 0.81 PTP4A1 (0.44) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL9869805 0.81 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL15491442 0.81 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054748-A1 Comprising a mono- and/or a polycyanoacrylate, a polymerizable monomer, a stabilizer, an initiator, pigments and a filling material; usable as dental filling material, dental cement, dental sealer or as dental adhesives; also usable in microelectronics as industrial adhesives or for medical applications KLEE JOACHIM E (DE) 2005-03-10 US disclosed
US-20020147249-A1 Dental composition DENTSPLY RESEARCH & DEVELOPMENT CORP. 2002-10-10 US disclosed
US-20020025993-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2002-02-28 US disclosed
EP-1137389-A1 DENTAL COMPOSITION DENTSPLY INTERNATIONAL, INC. (US) 2001-10-04 EP disclosed
WO-2000033793-A1 DENTAL COMPOSITION DENTSPLY INTERNATIONAL INC. (US) 2000-06-15 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 (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-20020147249-A1 Dental composition CAD, SMCHD1, FHIT CYP2C9 1909/4885MAPT 140/4885MEN1 1253/4885
US-20050054748-A1 Comprising a mono- and/or a polycyanoacrylate, a polymerizable monomer, a stabilizer, an initiator, pigments and a filling material; usable as dental filling material, dental cement, dental sealer or as dental adhesives; also usable in microelectronics as industrial adhesives or for medical applications KCNMA1, CAD, PUF60 CYP2C9 3590/4885MAPT 553/4885MEN1 246/4885

“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.