SCHEMBL17736795

SCHEMBL17736795

COc1cccc2cc(C)c(S)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NQO1 P15559 1/20 0.46
ACHE P22303 6/20 0.40
NQO2 P16083 4/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 3/20 0.39
CYP19A1 P11511 1/20 0.38
PDGFRB P09619 2/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL17733157 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL8393507 0.80 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL29919905 0.80 NQO1 (0.67) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL29862025 0.78 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL8391116 0.78 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL1402598 0.78 NQO1 (0.48) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL1402280 0.78 NQO1 (0.48) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL1003225 0.75 NQO1 (0.72) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL30949381 0.75 NQO1 (0.72) KDM4EALDH1A1HPGDHSD17B10NQO1
SCHEMBL8270248 0.74 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10NPC1

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-9643905-B2 Phenylnaphthol derivatives TOKUYAMA CORPORATION (JP) 2017-05-09 US disclosed
US-20160130203-A1 NOVEL PHENYLNAPHTHOL DERIVATIVES TOKUYAMA CORPORATION (JP) 2016-05-12 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-20160130203-A1 NOVEL PHENYLNAPHTHOL DERIVATIVES AHR, ARL1, PAH KDM4E 3611/4885ALDH1A1 889/4885HPGD 1570/4885

“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.