SCHEMBL13754053

SCHEMBL13754053

C=CC(O[Si](CC)(CC)CC)c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ HPGD P15428 3/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ RECQL P46063 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
SCHEMBL5317775 0.75 LMNA (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5313188 0.71 ESR1 (0.39) CYP2C19
SCHEMBL5314916 0.70 CHRNA7 (0.31) —
SCHEMBL5836381 0.69 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16146081 0.68 ALDH1A1 (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL5314215 0.68 UGT2B7 (0.40) TSHRMEN1KMT2A
SCHEMBL5315971 0.68 ALDH1A1 (0.40) ALDH1A1TSHRMAPTKDM4ETDP1
SCHEMBL13754055 0.67 PDE2A (0.37) ALDH1A1MAPK1CYP2C19
SCHEMBL27733971 0.67 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16146074 0.66 ALDH1A1 (0.38) ALDH1A1TSHRMAPTMEN1KMT2A

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-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

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 ALDH1A1 15/4885TSHR 4045/4885MAPT 2809/4885

“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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