SCHEMBL6435901

SCHEMBL6435901

CCCC/C=C(/CCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.46
PTGS2 P35354 1/20 0.43
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NAAA Q02083 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6435904 1.00 TBXAS1 (0.46) TBXAS1PTGS2CES2CES1LMNA
SCHEMBL6435892 1.00 TBXAS1 (0.46) TBXAS1PTGS2CES2CES1LMNA
SCHEMBL24239040 0.86 HDAC3 (0.46) TBXAS1PTGS2CES2CES1ESR1
Ethylene Glycol SCHEMBL7783597 0.85 TBXAS1 (0.59) TBXAS1PTGS2CES2CES1LMNA
SCHEMBL11209013 0.84 PTGS2 (0.43) TBXAS1PTGS2CES2CES1ESR1
SCHEMBL24593486 0.83 HDAC1 (0.41) TBXAS1LMNATDP1HDAC3HDAC1
SCHEMBL9068456 0.78 CYP1A2 (0.47) TBXAS1PTGS2CES2CES1ESR1
SCHEMBL18801487 0.78 CYP1A2 (0.47) TBXAS1PTGS2CES2CES1ESR1
SCHEMBL11527446 0.77 HDAC1 (0.42) LMNATDP1HDAC3HDAC1HDAC2
SCHEMBL11527443 0.77 HDAC1 (0.42) LMNATDP1HDAC3HDAC1HDAC2

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA TBXAS1 974/4885PTGS2 407/4885CES2 3395/4885

“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.