SCHEMBL15345428

SCHEMBL15345428

NCc1cccc2cccc(C3CCCCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ OPRL1 P41146 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ CEL P19835 1/20 0.33
▸ PNMT P11086 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ XIAP P98170 1/20 0.31

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
SCHEMBL3745489 0.80 PTGDR2 (0.42) NUDT1BACE1PTGDR2OPRL1HTR2A
Hydrochloric Acid SCHEMBL13268822 0.79 PTGDR2 (0.41) NUDT1BACE1PTGDR2OPRL1HTR2A
SCHEMBL3750890 0.78 SLC6A2 (0.40) NUDT1BACE1PTGDR2OPRL1HTR2A
SCHEMBL15345340 0.78 NUDT1 (0.36) NUDT1BACE1PTGDR2OPRL1HTR2A
Hydrochloric Acid SCHEMBL3756190 0.77 SLC6A2 (0.39) NUDT1BACE1PTGDR2OPRL1HTR2A
SCHEMBL15345766 0.75 BACE1 (0.40) NUDT1BACE1PTGDR2OPRL1HTR2A
SCHEMBL12954599 0.74 PNMT (0.40) PTGDR2OPRL1HTR2ANAAAOPRM1
SCHEMBL25178039 0.74 MEN1 (0.41) PTGDR2HTR1AHTR7CELMEN1
SCHEMBL31733075 0.74 XIAP (0.37) OPRL1HTR2ADRD2OPRM1MEN1
SCHEMBL9817745 0.73 PNMT (0.48) HTR2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 — — EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 — — US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 — — US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 — — EP 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 NUDT1 791/4885BACE1 4110/4885PTGDR2 2350/4885

“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.

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