SCHEMBL9908140

SCHEMBL9908140

C=C(C)C(=O)OCCOOC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
IL18 Q14116 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.39
PAX8 Q06710 1/20 0.39
PGR P06401 1/20 0.38
IDO1 P14902 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
SCHEMBL11886544 0.90 LMNA (0.44) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL12956396 0.79 CNR1 (0.51) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL29316168 0.78 MMP3 (0.48) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL19619019 0.77 GAA (0.45) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL29322120 0.76 MMP3 (0.47) KMT2APOLBMAPK1TSHRHTT
SCHEMBL29316174 0.75 MMP3 (0.52) KMT2APOLBHTTPAX8PGR
SCHEMBL13756115 0.75 TDP1 (0.51) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL29322132 0.74 HDAC1 (0.53) KMT2APOLBTSHRHTTPAX8
SCHEMBL29316177 0.74 HDAC1 (0.53) KMT2APOLBTSHRHTTPAX8
SCHEMBL24439441 0.73 PKM (0.53) LMNAPOLBPKMMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932398-B2 Gallotannic compounds for lithographic printing plate coating compositions MYLAN GROUP (VN) 2015-01-13 US disclosed
US-20120137929-A1 GALLOTANNIC COMPOUNDS FOR LITHOGRAPHIC PRINTING PLATE COATING COMPOSITIONS MYLAN GROUP (VN) 2012-06-07 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-20120137929-A1 GALLOTANNIC COMPOUNDS FOR LITHOGRAPHIC PRINTING PLATE COATING COMPOSITIONS LGMN, GLMN, BMP4 MAPT 1251/4885KMT2A 2901/4885MEN1 1158/4885

“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.