SCHEMBL4822366

SCHEMBL4822366

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
SNCA P37840 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL4822579 0.80 PTGS2 (0.52) LMNAALDH1A1PTGS1PTGS2
SCHEMBL4236339 0.79 CES2 (0.51) LMNAPTGS2
SCHEMBL2785605 0.77 MAOA (0.41) LMNAPKMALDH1A1SMN1; SMN2MAPT
SCHEMBL29865860 0.76 MTNR1A (0.44) LMNAMAPTMEN1KMT2A
SCHEMBL6604832 0.73 L3MBTL1 (0.64) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL24380775 0.71 MAOA (0.37) ALDH1A1SMN1; SMN2MAPTATMNPC1
SCHEMBL29257655 0.71 AKT1 (0.38)
SCHEMBL1649774 0.71 HPGD (0.39) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6159704 0.71 ATM (0.45) SMN1; SMN2MAPTATM
SCHEMBL6159698 0.71 ATM (0.45) SMN1; SMN2MAPTATM

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 5 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
EP-1337536-A1 CATIONIC GROUP-3 CATALYST SYSTEM ExxonMobil Chemical Patents Inc. (US) 2003-08-27 EP disclosed
WO-2002032909-A1 CATIONIC GROUP-3 CATALYST SYSTEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-04-25 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-20040033891-A1 Cationic group-3 catalyst system COG3, ORC3, LIG3 LMNA 1589/4885PKM 3968/4885ALDH1A1 3904/4885

“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.