SCHEMBL5317035

SCHEMBL5317035

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 5/20 0.31
AOC3 Q16853 1/20 0.31
PPARA Q07869 3/20 0.31
PPARG P37231 1/20 0.31
FFAR1 O14842 1/20 0.31
CYP3A4 P08684 1/20 0.30
POLB P06746 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
TAAR1 Q96RJ0 2/20 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
SCHEMBL13754063 0.81 ALDH1A1 (0.40) LMNAALDH1A1TRPA1PPARAPPARG
SCHEMBL5317773 0.78 ASAH1 (0.40) ALDH1A1
SCHEMBL13754074 0.75 ALDH1A1 (0.43) LMNAALDH1A1CYP3A4POLB
SCHEMBL10824109 0.74 LMNA (0.37) LMNAALDH1A1PPARAPPARGCYP3A4
SCHEMBL13754069 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL5315005 0.74 ATM (0.31) CYP3A4
SCHEMBL13754072 0.72 HDAC7 (0.44) ALDH1A1CYP3A4POLB
SCHEMBL20496665 0.70 MEN1 (0.37) LMNAALDH1A1CYP3A4NOS3NOS2
SCHEMBL17589051 0.70 MEN1 (0.37) LMNAALDH1A1CYP3A4NOS3NOS2
SCHEMBL4057730 0.68 ALDH1A1 (0.38) LMNAALDH1A1PPARAPPARGCYP3A4

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 LMNA 2832/4885ALDH1A1 15/4885TRPA1 1997/4885

“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.