SCHEMBL4948613

SCHEMBL4948613

C=CCc1cc(C(C)C)c(N)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
XDH P47989 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH2 P05091 1/20 0.33
AKR1B1 P15121 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
SCHEMBL5598779 0.80 GSR (0.53) ALDH1A1PPARGPPARDCYP3A4XDH
SCHEMBL5599075 0.77 ALDH1A1 (0.44) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL840617 0.76 GABRA1 (0.38) GABRA1GABRB2GAAMAPTGSR
SCHEMBL101727 0.76 DHFR (0.41) ALDH1A1CYP3A4TSHRGABRA1GABRB2
SCHEMBL9327649 0.74 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL4950189 0.74 ALDH1A1 (0.32) ALDH1A1PPARGPPARDPPARACYP3A4
SCHEMBL11297222 0.74 GSR (0.36) GAAGSRPTGS2
SCHEMBL20930073 0.74 GSR (0.36) GABRA1GABRB2GAAMAPTGSR
Hydrochloric Acid SCHEMBL15287283 0.74 DHFR (0.40) GABRA1GABRB2GAAMAPTGSR
SCHEMBL9774970 0.72 ALDH1A1 (0.38) ALDH1A1PPARGPPARDPPARACYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319083-B2 Polymerized catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-15 US disclosed
US-7176158-B2 Polymerization catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-02-13 US disclosed
US-7119155-B2 Polymerized catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-10 US disclosed
US-20040157728-A1 For polymerizing or oligomerizing one or more olefins EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-12 US disclosed
US-20040147771-A1 Polymerization catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2004-07-29 US disclosed
US-20040147391-A1 Polymerized catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-07-29 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-20040147771-A1 Polymerization catalyst composition POLN, ACE2, ACE ALDH1A1 1051/4885PPARG 3426/4885PPARD 3586/4885

“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.