SCHEMBL15345340

SCHEMBL15345340

NCc1cccc2c(C3CCCCC3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SLC6A4 P31645 2/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ OPRL1 P41146 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CEL P19835 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL15345379 0.93 CXCR4 (0.41) NUDT1BACE1PTGDR2SLC6A4CXCR4
SCHEMBL19942254 0.84 SLC22A12 (0.40) SLC6A4DRD2LOXL2CYP2A6SLC6A2
SCHEMBL3745489 0.82 PTGDR2 (0.42) NUDT1BACE1PTGDR2SLC6A4OPRL1
Hydrochloric Acid SCHEMBL13268822 0.80 PTGDR2 (0.41) NUDT1BACE1PTGDR2SLC6A4OPRL1
SCHEMBL3750890 0.80 SLC6A2 (0.40) NUDT1BACE1PTGDR2SLC6A4OPRL1
Hydrochloric Acid SCHEMBL3756190 0.78 SLC6A2 (0.39) NUDT1BACE1PTGDR2SLC6A4OPRL1
SCHEMBL15345428 0.78 NUDT1 (0.36) NUDT1BACE1PTGDR2SLC6A4CXCR4
SCHEMBL11481536 0.76 CXCR4 (0.41) PTGDR2SLC6A4CXCR4DRD2OPRL1
SCHEMBL7655573 0.76 CXCR4 (0.41) PTGDR2SLC6A4CXCR4DRD2CEL
SCHEMBL12954599 0.76 PNMT (0.40) PTGDR2SLC6A4OPRL1OPRM1OPRD1

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.

Send feedback