SCHEMBL2484141

SCHEMBL2484141

O=C(C=Cc1ccc(O)c(O)c1)N1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.81
ALOX5 P09917 1/20 0.81
TRPV1 Q8NER1 2/20 0.71
PELI1 Q96FA3 2/20 0.67
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL12334103 1.00 MAOB (0.81) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL16382869 0.98 MAOB (0.78) MAOBALOX5TRPV1PELI1KDM4E
SCHEMBL1560606 0.98 MAOB (0.78) MAOBALOX5TRPV1PELI1KDM4E
SCHEMBL17340469 0.90 ALOX5 (1.00) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL10932270 0.90 ALOX5 (1.00) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL29738484 0.90 ALOX5 (1.00) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL29738485 0.88 ALOX5 (0.97) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL19051846 0.87 TRPV1 (0.70) MAOBALOX5TRPV1PELI1NPC1
SCHEMBL2484738 0.85 TRPV1 (0.72) MAOBALOX5TRPV1NPC1RAB9A
SCHEMBL2484236 0.85 ALOX5 (0.60) MAOBALOX5

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 MAOB 2070/4885ALOX5 547/4885TRPV1 4465/4885

“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.