SCHEMBL13856435

SCHEMBL13856435

COc1ccc(C(N)CCc2ccc(C)o2)cc1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.97
KDM4E B2RXH2 3/20 0.97
ESR2 Q92731 1/20 0.97
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 2/20 0.42
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A4 P31645 1/20 0.36
AOC3 Q16853 3/20 0.36
SLC2A1 P11166 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL24400970 0.74 MAPT (0.57) MAPTKDM4EESR2ALDH1A1HPGD
SCHEMBL6868397 0.72 CYP1A2 (0.61) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL13115768 0.72 CYP1A2 (0.61) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL701930 0.72 CYP1A2 (0.61) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL8748295 0.71 MAPT (0.53) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL3384639 0.71 CYP1A2 (0.59) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL6937040 0.71 CYP1A2 (0.59) MAPTKDM4EESR2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL13268932 0.71 CYP1A2 (0.59) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL3734984 0.70 CYP1A2 (0.58) MAPTKDM4EESR2ALDH1A1HSD17B10
SCHEMBL3735109 0.70 CYP1A2 (0.58) MAPTKDM4EESR2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MAPT 3866/4885KDM4E 3373/4885ESR2 2237/4885

“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.