SCHEMBL2485319

SCHEMBL2485319

O=C(C=Cc1ccc(O)c(O)c1)N1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.74
ME2 P23368 1/20 0.66
ME1 P48163 1/20 0.66
ME3 Q16798 1/20 0.66

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 0.82 MAOB (0.78)
SCHEMBL16382869 0.82 MAOB (0.78)
SCHEMBL9346929 0.81 TACR3 (0.65)
SCHEMBL2484152 0.81 ACHE (0.76) ACHE
SCHEMBL2484738 0.81 TRPV1 (0.72)
SCHEMBL20866524 0.81 TRPV1 (0.72)
SCHEMBL2484236 0.81 ALOX5 (0.60)
SCHEMBL12334103 0.80 MAOB (0.81)
SCHEMBL2484141 0.80 MAOB (0.81)
Hydrochloric Acid SCHEMBL2486851 0.80 ACHE (0.74) ACHE

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 ACHE 4675/4885ME2 2439/4885ME1 487/4885

“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.