SCHEMBL5454494

SCHEMBL5454494

CCCCCCN(CCCCCC)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
CNR2 P34972 7/20 0.46
MLYCD O95822 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL14506160 0.85 EGFR (0.45) EGFRERBB2CNR2MLYCDHDAC11
SCHEMBL1963626 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL29138374 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL29138335 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL29138334 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL2369922 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL29138331 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL29138333 0.82 EGFR (0.53) EGFRERBB2CNR2HDAC11PTGES
SCHEMBL472312 0.81 PTGES (0.54) EGFRERBB2CNR2PTGESALOX5
SCHEMBL11539577 0.81 PTGES (0.54) EGFRERBB2CNR2PTGESALOX5

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-20070134737-A1 Fluorophore compounds and their use in biological systems STANFORD UNIVERSITY (US) 2007-06-14 US disclosed
WO-2005005956-A2 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-20 WO disclosed
US-20050009109-A1 FLUOROPHORE COMPOUNDS AND THEIR USE IN BIOLOGICAL SYSTEMS STANFORD UNIVERSITY (US) 2005-01-13 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-20070134737-A1 Fluorophore compounds and their use in biological systems DHODH, DUT, DPYD EGFR 4494/4885ERBB2 4200/4885CNR2 1699/4885

“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.