SCHEMBL13640256

SCHEMBL13640256

CCOC(=O)c1ccc2[nH]c3c(OCCN)c4[nH]c5ccc(CC)cc5c4cc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 5/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.47
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL1920330 0.95 HCRTR1 (0.58) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL18705472 0.87 KDM4E (0.49) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL18705463 0.86 KDM4E (0.57) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL21043624 0.84 KDM4E (0.60) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL3199051 0.84 KDM4E (0.64) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL13640846 0.83 HCRTR1 (0.46) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL13535329 0.81 KDM4E (0.60) HCRTR1KDM4EALDH1A1MAPTMEN1
SCHEMBL18713310 0.81 KDM4E (0.54) HCRTR1KDM4EALDH1A1MAPTMEN1
Sr-13668 SCHEMBL29381258 0.80 KDM4E (0.64) HCRTR1KDM4EALDH1A1MAPTMEN1
Sr-13668 SCHEMBL30173443 0.80 KDM4E (0.64) HCRTR1KDM4EALDH1A1MAPTMEN1

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-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 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-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 HCRTR1 409/4885KDM4E 3668/4885ALDH1A1 1789/4885

“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.