SCHEMBL5680573

SCHEMBL5680573

CCc1cc(C)c(OC(=O)O)c(O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
MAOA P21397 1/20 0.33
PRKCE Q02156 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5676894 0.89 LDHA (0.40) NPSR1LDHALDHBMAOAESR1
SCHEMBL5676682 0.86 MAOA (0.40) NPSR1LDHALDHBMAOAESR1
SCHEMBL5680531 0.85 LDHA (0.36) NPSR1LDHALDHBMAOAPRKCE
SCHEMBL5680957 0.82 CYP3A4 (0.38) NPSR1LDHALDHBALDH1A1MAPT
SCHEMBL5676300 0.80 LDHA (0.38) NPSR1LDHALDHBMAOAHPGD
SCHEMBL5680671 0.80 ALOX5 (0.38) MAOAESR1GABRA1GABRB2
SCHEMBL5677863 0.79 LDHA (0.36) LDHALDHBALDH1A1MAPTCYP3A4
SCHEMBL5680815 0.79 PPARG (0.38) NPSR1LDHALDHBMAOA
SCHEMBL5589854 0.79 TSHR (0.38) NPSR1ALDH1A1MAPTMEN1POLB
SCHEMBL5676726 0.79 LDHA (0.43) NPSR1LDHALDHBMAOAESR1

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
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR NPSR1 3509/4885LDHA 3482/4885LDHB 3990/4885

“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.