SCHEMBL6545122

SCHEMBL6545122

CCOc1ccc(P(Cl)Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 2/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PARP10 Q53GL7 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2A P08913 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2154484 0.86 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL431054 0.81 NQO1 (0.70) NQO1TSHRTDP1LTA4HNPC1
1,4-Diethoxybenzene SCHEMBL28186701 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HNPC1
1,4-Diethoxybenzene SCHEMBL124015 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL2154263 0.79 LTA4H (0.57) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL8384676 0.77 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL11213735 0.77 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL2154534 0.77 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
SCHEMBL20879650 0.77 NQO1 (0.64) NQO1TSHRTDP1LTA4HNPC1
1,4-Diethoxybenzene SCHEMBL11794798 0.77 NQO1 (0.93) NQO1TSHRTDP1LTA4HNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
US-6605742-B2 Rheumatic diseases; antiarthritic agents; antitumor agents LEO PHARMA A/S (DK) 2003-08-12 US disclosed
US-20020177706-A1 Novel cyclo azaphospha hydrocarbons LEO PHARMA A/S (DK) 2002-11-28 US disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 WO disclosed
US-4376064-A OXYGENATED COMPOUND OF PHOSPHORUS STANDARD OIL CO. (INDIANA) (US) 1983-03-08 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-20020177706-A1 Novel cyclo azaphospha hydrocarbons CMA1, MMP9, CPA1 NQO1 1789/4885TSHR 4193/4885TDP1 1892/4885

“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.