SCHEMBL4824003

SCHEMBL4824003

[CH2]C(=C)C(CCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.44
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 3/20 0.42
KCNQ2 O43526 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2162293 0.84 AOC3 (0.44) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4820495 0.83 LMNA (0.50) CYP2C19LMNAKCNQ2HSD17B10ALDH1A1
SCHEMBL6945867 0.81 CYP1A2 (0.33) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1276189 0.81 LMNA (0.42) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL28081174 0.79 AOC3 (0.47) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL17183806 0.78 EPHX1 (0.46) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL9712253 0.78 AOC3 (0.46) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL643461 0.78 CYP2C19 (0.53) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL19228532 0.78 CYP2C19 (0.53) AOC3CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13385031 0.76 CYP2C19 (0.49) AOC3CYP2C19CYP1A2CYP3A4CYP2D6

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
EP-1337536-B1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2012-09-12 EP disclosed
US-7390861-B2 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-24 US disclosed
US-20040033891-A1 Cationic group-3 catalyst system EXXONMOBIL CHEMICAL PATENTS INC. 2004-02-19 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 AOC3 5/4885CYP2C19 3646/4885CYP1A2 4044/4885

“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.