SCHEMBL2484738

SCHEMBL2484738

O=C(C=Cc1ccc(O)c(O)c1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.72
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
MAOB P27338 2/20 0.65
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALOX5 P09917 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL20866524 1.00 TRPV1 (0.72) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL9656530 0.87 TRPV1 (0.64) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL9656533 0.87 TRPV1 (0.64) TRPV1RAB9ANPC1TDP1ALDH1A1
SCHEMBL1560606 0.86 MAOB (0.78) TRPV1ALDH1A1MAOBKDM4EALOX5
SCHEMBL16382869 0.86 MAOB (0.78) TRPV1ALDH1A1MAOBKDM4EALOX5
SCHEMBL2484141 0.85 MAOB (0.81) TRPV1RAB9ANPC1ALDH1A1MAOB
SCHEMBL12334103 0.85 MAOB (0.81) TRPV1RAB9ANPC1ALDH1A1MAOB
SCHEMBL2122038 0.84 TRPV1 (1.00) TRPV1ALDH1A1HPGDKDM4EALOX5
SCHEMBL2122045 0.84 TRPV1 (1.00) TRPV1ALDH1A1HPGDKDM4EALOX5
SCHEMBL8788351 0.83 ALDH1A1 (0.65) TRPV1RAB9ANPC1TDP1ALDH1A1

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 TRPV1 4465/4885RAB9A 2314/4885NPC1 1039/4885

“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.