SCHEMBL1258876

SCHEMBL1258876

Cc1cccc(C)c1CC([O])=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PSMB5 P28074 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL12214127 0.83 KDM4E (0.42) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL15304521 0.81 KDM4E (0.41) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL1004574 0.81 KDM4E (0.58) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL4686503 0.79 PSMB5 (0.40) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9267218 0.79 KDM4E (0.40) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL436968 0.79 PLA2G2A (0.41) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL1258869 0.79 SMN1; SMN2 (0.36) ALDH1A1SLC22A12SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3104254 0.79 ALDH1A1 (0.41) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL9715052 0.78 GABRA1 (0.42) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL7690997 0.77 ERCC5 (0.48) KDM4EMEN1KMT2AGAAMAPT

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-20120142988-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
WO-2011016581-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 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 (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-20120142988-A1 METHOD OF PRODUCING 1-HEXENE HRH1, HK1, HMOX1 KDM4E 2710/4885MEN1 250/4885KMT2A 2250/4885

“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.