SCHEMBL867250

SCHEMBL867250

NC(=O)C1CC2OC2CC1C(=O)Nc1cccc(NC(=O)C2CC3OC3CC2C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
PARP10 Q53GL7 2/20 0.53
F13A1 P00488 4/20 0.48
TGM2 P21980 4/20 0.48
TYK2 P29597 1/20 0.46
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM4 Q14833 2/20 0.41
PARP15 Q460N3 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
PPM1B O75688 1/20 0.41

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
SCHEMBL8999427 0.82 LMNA (0.42) PARP1PARP10F13A1TGM2TYK2
SCHEMBL960402 0.77 POLB (0.59) PARP1PARP10F13A1TGM2ALDH1A1
SCHEMBL27917664 0.73 EPHX1 (0.36) KDM4ELMNA
SCHEMBL9944500 0.68 POLB (0.65) PARP1PARP10F13A1TGM2HSD17B10
SCHEMBL3690365 0.65 MAPT (0.59) ALDH1A1HTTLMNA
SCHEMBL29952075 0.65 PARP1 (0.77) PARP1PARP10ALDH1A1SMN1; SMN2TDP1
SCHEMBL9946340 0.64 L3MBTL1 (0.69) ALDH1A1SMN1; SMN2TDP1HTTL3MBTL1
SCHEMBL961995 0.64 KDM4E (0.66) HSD17B10ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL13927083 0.63 PARP1 (0.61) PARP1PARP10TYK2ALDH1A1SMN1; SMN2
SCHEMBL20559746 0.63 PARP1 (0.61) PARP1PARP10ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828268-B2 Use of molecules having associative groups as hardeners for thermosetting resins ARKEMA FRANCE (FR) 2014-09-09 US disclosed
US-20130274432-A1 Use of Molecules Having Associative Groups As Hardeners for Thermosetting Resins ARKEMA FRANCE (FR) 2013-10-17 US disclosed
US-20130248087-A1 PROCESS FOR PRODUCING FIBROUS MATERIAL PRE-IMPREGNATED WITH THERMOSETTING POLYMER ARKEMA FRANCE (FR) 2013-09-26 US disclosed
US-20120074353-A1 USE OF MOLECULES HAVING ASSOCIATIVE GROUPS AS HARDENERS FOR THERMOSETTING RESINS ARKEMA FRANCE (FR) 2012-03-29 US 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 (1 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-20120074353-A1 USE OF MOLECULES HAVING ASSOCIATIVE GROUPS AS HARDENERS FOR THERMOSETTING RESINS NES, NBAS, HDAC10 PARP1 288/4885PARP10 67/4885F13A1 323/4885

“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.