SCHEMBL2010661

SCHEMBL2010661

C=C(CCCCCC)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HSD17B3 P37058 6/20 0.44
HTT P42858 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL19042193 0.98 L3MBTL1 (0.46) L3MBTL1HSD17B3HTTTHRATHRB
SCHEMBL7193415 0.92 ALDH1A1 (0.44) L3MBTL1HSD17B3TDP1CES2CES1
SCHEMBL8730860 0.90 TDP1 (0.46) HTTTDP1CES2CES1ALDH1A1
SCHEMBL27944125 0.85 HSD17B3 (0.62) HSD17B3KDM4EALDH1A1LMNAESR1
SCHEMBL28209780 0.85 HSD17B3 (0.62) HSD17B3KDM4EALDH1A1LMNAESR1
SCHEMBL7197697 0.84 ALDH1A1 (0.41) L3MBTL1HSD17B3HTTTDP1CES2
SCHEMBL23891539 0.83 GAA (0.54) HSD17B3GAA
SCHEMBL9419337 0.83 HSD17B3 (0.43) HSD17B3THRATHRBCES2CES1
SCHEMBL11412668 0.82 CES2 (0.58) L3MBTL1TDP1CES2CES1LMNA
SCHEMBL465114 0.82 CES2 (0.58) L3MBTL1TDP1CES2CES1LMNA

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-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF L3MBTL1 3155/4885HSD17B3 3146/4885HTT 2563/4885

“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.