SCHEMBL5586780

SCHEMBL5586780

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
COMT P21964 1/20 0.35
ALOX5 P09917 5/20 0.34
EGFR P00533 1/20 0.34
PTGS2 P35354 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PTGES O14684 2/20 0.33
TOP2A P11388 1/20 0.33
MGLL Q99685 1/20 0.33
PKM P14618 1/20 0.33
MAOA P21397 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
SCHEMBL5586776 0.80 TYR (0.39) TRPV1ESR1ALDH1A1TDP1KMT2A
SCHEMBL6233474 0.79 ALDH1A1 (0.44) TRPV1ESR1ALDH1A1TDP1KMT2A
SCHEMBL5589285 0.78 ALOX5 (0.37) ESR1ALDH1A1KMT2AALOX5EGFR
SCHEMBL5587790 0.78 TYR (0.38) ESR1ALOX5EGFRPTGS2PTGES
SCHEMBL5588395 0.78 ALOX5 (0.37) ESR1ALOX5EGFRPTGS2PTGES
SCHEMBL5589457 0.77 ALOX12 (0.38) ALDH1A1TDP1KMT2ASMN1; SMN2COMT
SCHEMBL5587288 0.77 SMN1; SMN2 (0.40) TRPV1ESR1ALDH1A1TDP1KMT2A
SCHEMBL5587193 0.76 TDP1 (0.39) TRPV1ESR1ALDH1A1TDP1KMT2A
SCHEMBL5587190 0.76 BID (0.43) COMTMAPTPTGESTOP2A
SCHEMBL5587195 0.76 KMT2A (0.36) TRPV1ESR1KMT2ASMN1; SMN2COMT

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-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

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 TRPV1 2540/4885ESR1 1108/4885ALDH1A1 2181/4885

“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.