SCHEMBL5586776

SCHEMBL5586776

CCCCc1cc(CCCC)c([N+](=O)[O-])c(O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
ESR1 P03372 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 5/20 0.37
EGFR P00533 1/20 0.37
PTGS2 P35354 3/20 0.36
COMT P21964 1/20 0.35
KMT2A Q03164 3/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
GPR35 Q9HC97 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL10526558 0.81 ALDH1A1 (0.39) TYRTDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5586780 0.80 TRPV1 (0.39) ESR1TDP1ALDH1A1ALOX5EGFR
SCHEMBL11216304 0.79 HTT (0.50) TYRESR1TDP1ALDH1A1EGFR
SCHEMBL11119486 0.78 GPR35 (0.41) TYRESR1TDP1ALDH1A1GPR35
SCHEMBL27464077 0.78 ALDH1A1 (0.44) TYRESR1TDP1ALDH1A1TRPV1
SCHEMBL6763394 0.77 ALDH1A1 (0.46) TYRTDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5587190 0.76 BID (0.43) COMTMAPTALOX15
SCHEMBL574700 0.74 GPR35 (0.54) ESR1TDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27762027 0.74 ESR1 (0.45) ESR1TDP1ALDH1A1PTGS2HTT
SCHEMBL28786016 0.74 ERN1 (0.42) TYRTDP1ALDH1A1TRPV1MAPT

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
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 TYR 1073/4885ESR1 1108/4885TDP1 3761/4885

“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.