SCHEMBL12708461

SCHEMBL12708461

CCCc1c(CCC)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 4/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NCEH1 Q6PIU2 1/20 0.46
HPGD P15428 2/20 0.42
PTGS2 P35354 3/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
ABCB11 O95342 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
SCHEMBL9628241 0.89 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9627780 0.88 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9629440 0.86 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9713828 0.82 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL6907648 0.80 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL29368738 0.80 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9628428 0.80 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL24596055 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9812680 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL9627497 0.79 ALOX5 (0.48) KDM4EALDH1A1SMN1; SMN2HTTGAA

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-8765982-B2 Synergistic anticoagulant composition MARSHFIELD CLINIC HEALTH SYSTEM, INC. (US) 2014-07-01 US disclosed
US-20110082194-A1 Synergistic Anticoagulant Composition WISYS TECHNOLOGY FOUNDATION, INC. 2011-04-07 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-20110082194-A1 Synergistic Anticoagulant Composition VKORC1L1, VKORC1, F2 KDM4E 3228/4885ALDH1A1 1993/4885SMN1; SMN2 4454/4885

“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.