SCHEMBL5315005

SCHEMBL5315005

C=C(CCCC=C(C)C)C(O[Si](CC)(CC)CC)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL5317773 0.82 ASAH1 (0.40) TDP1
SCHEMBL13754063 0.79 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6
SCHEMBL5317035 0.74 LMNA (0.33) CYP3A4
SCHEMBL13754072 0.71 HDAC7 (0.44) CYP3A4CYP2C19
SCHEMBL17589051 0.69 MEN1 (0.37) TDP1CYP3A4
SCHEMBL20496665 0.69 MEN1 (0.37) TDP1CYP3A4
SCHEMBL13754074 0.68 ALDH1A1 (0.43) TDP1L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL10824109 0.68 LMNA (0.37) CYP1A2CYP3A4CYP2D6
SCHEMBL4050986 0.68 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13754069 0.68 ALDH1A1 (0.48) L3MBTL1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314246-B2 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 US disclosed
US-20090216025-A1 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-08-27 US disclosed
WO-2007027752-A1 CATALYTIC REACTIONS INVOLVING ALKENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-03-08 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-20090216025-A1 Catalytic reactions involving alkenes ADH5, ADH1C, ADH1A ATM 3419/4885TDP1 3484/4885L3MBTL1 2713/4885

“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.