SCHEMBL9016241

SCHEMBL9016241

COc1cc(C=Cc2ccc(OC)c(OC)c2)oc(=O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.78
ALDH1A1 P00352 2/20 0.73
TP53 P04637 2/20 0.73
HPGD P15428 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MAPT P10636 1/20 0.73
CASP1 P29466 1/20 0.73
CASP7 P55210 1/20 0.73
HSD17B10 Q99714 1/20 0.73
CYP3A4 P08684 1/20 0.69
CYP1A1 P04798 8/20 0.62
CYP1B1 Q16678 7/20 0.62
NQO2 P16083 3/20 0.62
TTR P02766 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
MYC P01106 1/20 0.62
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59

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
SCHEMBL29584432 1.00 HIF1A (0.78) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL9016238 1.00 HIF1A (0.78) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL29583263 0.87 HIF1A (0.81) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL9016262 0.87 HIF1A (0.81) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL30200254 0.87 HIF1A (1.00) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL29929793 0.87 HIF1A (1.00) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL9016260 0.87 HIF1A (0.81) HIF1AALDH1A1TP53HPGDSMN1; SMN2
Yangonin SCHEMBL1393965 0.84 ALDH1A1 (1.00) HIF1AALDH1A1TP53HPGDSMN1; SMN2
Yangonin SCHEMBL5584097 0.84 ALDH1A1 (1.00) HIF1AALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL18104327 0.84 HIF1A (0.67) HIF1AALDH1A1TP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349548-A1 P21-ACTIVATED KINASE INHIBITOR BIOSYSTEM CONSULTING LIMITED COMPANY (JP) 2017-12-07 US claimed
US-20170349548-A1 P21-ACTIVATED KINASE INHIBITOR BIOSYSTEM CONSULTING LIMITED COMPANY (JP) 2017-12-07 US disclosed
US-5585386-A MIXTURES FOR APPLICATION TO SKIN OR SCALP L'OREAL (FR) 1996-12-17 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-20170349548-A1 P21-ACTIVATED KINASE INHIBITOR HIPK1, CDKN1A, HIPK2 HIF1A 2205/4885ALDH1A1 2838/4885TP53 556/4885

“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.