SCHEMBL5314215

SCHEMBL5314215

C=CC(O[Si](CC)(CC)CC)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AOC3 Q16853 2/20 0.38
▸ CYP2D6 P10635 8/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ SLC6A2 P23975 9/20 0.36
▸ SLC6A4 P31645 9/20 0.36
▸ SLC6A3 Q01959 9/20 0.36
▸ KCNH2 Q12809 8/20 0.36
▸ CYP3A4 P08684 7/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL5313501 0.83 UGT2B7 (0.43) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL5317775 0.81 LMNA (0.34) MEN1KMT2ACASRCYP3A4HTR2A
SCHEMBL5313444 0.78 UGT2B7 (0.39) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL5315971 0.77 ALDH1A1 (0.40) AOC3CYP2D6CYP1A2TSHRCYP3A4
SCHEMBL5314916 0.76 CHRNA7 (0.31) —
SCHEMBL13754055 0.73 PDE2A (0.37) CYP1A2CYP3A4
SCHEMBL13754051 0.72 KMT2A (0.38) KMT2A
SCHEMBL7649073 0.72 UGT2B7 (0.45) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL5313188 0.71 ESR1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL28517755 0.71 UGT2B7 (0.44) UGT2B7MEN1KMT2AATMCYP2D6

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 UGT2B7 462/4885MEN1 2390/4885KMT2A 1499/4885

“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.

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