SCHEMBL6790824

SCHEMBL6790824

C=C1C=C(c2ccccc2)Oc2cc(O)c(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
ALOX5 P09917 2/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 2/20 0.33
AKR1B1 P15121 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
BCL2 P10415 1/20 0.32
APP P05067 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHUK O15111 1/20 0.31
CASP3 P42574 1/20 0.31
TXNRD1 Q16881 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL6555659 0.83 ALOX5 (0.44) ALOX5ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL6557145 0.78 CYP2A6 (0.34) ALDH1A1HPGDHSD17B10BCL2L1SMN1; SMN2
SCHEMBL6555925 0.76 NPC1 (0.37) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL6559396 0.75 PNLIP (0.43) ALOX5ALDH1A1HPGDHSD17B10ESR2
SCHEMBL13180056 0.71 CYP19A1 (0.43) ALDH1A1HPGDHSD17B10ESR2MEN1
SCHEMBL16708592 0.67 ALDH1A1 (0.49) BACE1ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15452354 0.66 RAB9A (0.39) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL28137248 0.65 BACE1 (0.83) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL1754202 0.63 BACE1 (1.00) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL20845357 0.62 CYP1A1 (0.36) ALDH1A1HPGDHSD17B10MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-02-26 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-20040039202-A1 Cationic dyes, method for the production thereof, and colouring agents containing said compounds TYR, MPO, NISCH BACE1 3691/4885ALOX5 1414/4885ALDH1A1 646/4885

“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.