SCHEMBL5454617

SCHEMBL5454617

CCCCCCC(N)CCCCC.O=C(c1ccccc1)C1(O)CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
CETP P11597 3/20 0.40
S1PR2 O95136 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NAAA Q02083 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL28418247 0.83 CES2 (0.42) OPRM1OPRD1OPRK1OPRL1CETP
SCHEMBL28095639 0.78 KDM4E (0.44) CES2CES1LMNAKMT2A
Methyl Alcohol SCHEMBL28651962 0.78 KDM4E (0.44) CES2CES1LMNAKMT2A
Benzene SCHEMBL29067363 0.78 HDAC4 (0.46) CES2CES1ALDH1A1LMNAKMT2A
SCHEMBL28231289 0.78 HDAC4 (0.46) CES2CES1ALDH1A1LMNAKMT2A
SCHEMBL6695613 0.78 HDAC4 (0.46) CES2CES1ALDH1A1LMNAKMT2A
SCHEMBL27279 0.78 HDAC4 (0.46) CES2CES1ALDH1A1LMNAKMT2A
Tetrabuthylammonium SCHEMBL29130207 0.77 CES2 (0.40) CETPCES2CES1ALDH1A1NAAA
Acetone SCHEMBL8418701 0.76 KDM4E (0.43) CES2CES1ALDH1A1LMNAKMT2A
Urea SCHEMBL28321664 0.76 POLB (0.43) ALDH1A1LMNAKMT2A

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 2 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
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 OPRM1 3601/4885OPRD1 2555/4885OPRK1 3807/4885

“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.