SCHEMBL2484236

SCHEMBL2484236

CC(=O)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
MAOB P27338 1/20 0.60
IAPP P10997 1/20 0.59
PTGS1 P23219 1/20 0.59
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57

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
SCHEMBL1560606 0.86 MAOB (0.78) ALOX5MAOB
SCHEMBL16382869 0.86 MAOB (0.78) ALOX5MAOB
SCHEMBL2484141 0.85 MAOB (0.81) ALOX5MAOB
SCHEMBL12334103 0.85 MAOB (0.81) ALOX5MAOB
SCHEMBL2485549 0.85 GPR183 (0.67) ALOX5MAOB
Hydrochloric Acid SCHEMBL2487345 0.83 TDP1 (0.66) ALOX5MAOB
Hydrochloric Acid SCHEMBL2487347 0.83 TDP1 (0.66) ALOX5MAOB
SCHEMBL2484738 0.82 TRPV1 (0.72) ALOX5MAOB
SCHEMBL20866524 0.82 TRPV1 (0.72) ALOX5MAOB
SCHEMBL2485319 0.81 ACHE (0.74)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP claimed
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-01-14 US claimed
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP disclosed
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-01-14 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-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES ABL1, MCL1, SRC ALOX5 547/4885MAOB 2070/4885IAPP 4825/4885

“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.