SCHEMBL30288142

SCHEMBL30288142

Cc1cc(O)c(C)c2c1OCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL15339520 0.82 ACHE (0.31) ACHE
SCHEMBL19393212 0.81 ESR1 (0.35) ESR1ESR2MAOAMAOBACHE
SCHEMBL19814691 0.79
SCHEMBL19814236 0.78 ACHE (0.32) ACHEHPGDNPSR1
SCHEMBL30596857 0.78 KDM4E (0.33) MAOAMAOBACHEKDM4EALDH1A1
SCHEMBL8116294 0.78 ALOX5 (0.38) ALOX5ESR1ESR2MAOAACHE
SCHEMBL19828446 0.78 ACHE (0.32) ACHE
SCHEMBL16900585 0.76 ACHE (0.37) ESR1ESR2MAOAMAOBACHE
SCHEMBL12604312 0.75
SCHEMBL3882921 0.74 AKT1 (0.40) ALOX5ACHEKDM4EALDH1A1GAA

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-20230102045-A1 CHEMICALS AND USE OF HYPOHALITES IN MECHANISM-BASED SELECTIVE DUAL RADICAL ORGANIC SYNTHESES WALKER CANCER RESEARCH INSTITUTE, INC (US) 2023-03-30 US claimed

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-20230102045-A1 CHEMICALS AND USE OF HYPOHALITES IN MECHANISM-BASED SELECTIVE DUAL RADICAL ORGANIC SYNTHESES HAO2, HAAO, HPD ALOX5 1306/4885ESR1 4535/4885ESR2 3503/4885

“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.