SCHEMBL4684698

SCHEMBL4684698

COc1ccc(C(=O)Cc2ccccc2)c(O)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HIF1A Q16665 1/20 0.51
PDE4D Q08499 5/20 0.50
PKM P14618 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL7008251 0.88 MAPT (0.60) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL17556626 0.87 SMN1; SMN2 (0.58) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL27901235 0.84 HIF1A (0.47) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL10927249 0.83 NR1H4 (0.47) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL1276013 0.82 NPC1 (0.60) LMNAMAPK1SMN1; SMN2HIF1APDE4D
SCHEMBL16704750 0.81 NPC1 (0.64) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL9152775 0.81 HPGD (0.52) MAPTLMNASMN1; SMN2HIF1APDE4D
SCHEMBL27982790 0.80 MAPT (0.67) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL24396937 0.79 HPGDS (0.68) MAPTLMNASMN1; SMN2HIF1AKMT2A
SCHEMBL29861033 0.78 NPC1 (0.63) LMNASMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542675-A4 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH ENDOWMENT FOR RES IN HUMAN BIO (US) 2008-11-19 EP disclosed
US-7368434-B2 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2008-05-06 US disclosed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 WO 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-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 MAPT 4138/4885TDP1 2949/4885LMNA 4826/4885

“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.