SCHEMBL13259166

SCHEMBL13259166

CC#CCC(CC#CC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL13259175 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL3963660 0.90 MEN1 (0.44) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL24425847 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL24425861 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL15551008 0.82 MMP8 (0.43) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL6893301 0.82 CYP4F2 (0.46) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL10907489 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10L3MBTL1THRB
SCHEMBL17284530 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL13259158 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL16841345 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1PKMKDM4E

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-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-01 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-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE MYB, KCNH2, INTS9 MEN1 1796/4885KMT2A 2679/4885ALDH1A1 1894/4885

“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.