SCHEMBL19449792

SCHEMBL19449792

C=C(NC(C)=O)c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ACACB O00763 2/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL28470841 0.85 ALDH1A1 (0.52) KMT2AHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL27577346 0.84 LOXL2 (0.53) KMT2AHDAC1HDAC6SMN1; SMN2NOS3
SCHEMBL19435750 0.84 CA1 (0.48) KMT2AHDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL19449796 0.84 KMT2A (0.40) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL28466726 0.82 PLK1 (0.54) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL19435693 0.80 MAPT (0.45) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL28466232 0.80 PLK1 (0.57) KMT2AHPGDALDH1A1POLBTHRA
SCHEMBL19724896 0.79 CA1 (0.47) KMT2AHPGDALDH1A1MAPTRAB9A
SCHEMBL7733506 0.79 ALDH1A1 (0.48) KMT2AHDAC1HDAC6HPGDSMN1; SMN2
SCHEMBL28460406 0.78 THRA (0.63) KMT2AALDH1A1MAPTTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 EPHX2 575/4885KMT2A 545/4885HDAC1 806/4885

“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.