SCHEMBL2485396

SCHEMBL2485396

O=C(C=Cc1ccc(O)c(O)c1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GPR183 P32249 2/20 0.55
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
ALOX12 P18054 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
AKR1B10 O60218 1/20 0.54
GMNN O75496 1/20 0.54
ALDH1A1 P00352 1/20 0.54
EGFR P00533 1/20 0.54
LMNA P02545 1/20 0.54
TTR P02766 1/20 0.54
ESR1 P03372 1/20 0.54
ERBB2 P04626 1/20 0.54
APP P05067 1/20 0.54
LCK P06239 1/20 0.54

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
SCHEMBL2484152 0.88 ACHE (0.76) ACHEMEN1KMT2AGPR183
Hydrochloric Acid SCHEMBL2486851 0.87 ACHE (0.74) ACHEMEN1KMT2AGPR183
Hydrochloric Acid SCHEMBL2486850 0.87 ACHE (0.74) ACHEMEN1KMT2AGPR183
SCHEMBL10971220 0.81 ACHE (0.53) ACHEMAPK1TDP1TP53CYP1A2
SCHEMBL2485549 0.80 GPR183 (0.67) MEN1KMT2AGPR183KDM4EALDH1A1
SCHEMBL2484599 0.80 ALOX5 (0.51) ALOX5
SCHEMBL2484603 0.80 ALOX5 (0.51) ALOX5
SCHEMBL10971222 0.80 ACHE (0.53) ACHE
SCHEMBL2485319 0.79 ACHE (0.74) ACHE
Hydrochloric Acid SCHEMBL2487345 0.79 TDP1 (0.66) MEN1KMT2AGPR183KDM4EALDH1A1

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 4675/4885MEN1 3219/4885KMT2A 1721/4885

“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.