SCHEMBL15345370

SCHEMBL15345370

NC(c1ccc2ccccc2c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
SLC6A3 Q01959 6/20 0.51
EPHX1 P07099 2/20 0.45
METAP2 P50579 2/20 0.44
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
METAP1 P53582 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTR1E P28566 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 1/20 0.43
UGT2B7 P16662 1/20 0.42
IDO1 P14902 2/20 0.41
KCNH2 Q12809 2/20 0.41
CA1 P00915 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL26326658 0.83 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3EPHX1METAP2
SCHEMBL182619 0.77 IDO1 (0.58) METAP2METAP1MAPTMEN1LMNA
SCHEMBL20721161 0.77 IDO1 (0.58) METAP2METAP1MAPTMEN1LMNA
SCHEMBL24741625 0.77 IDO1 (0.58) METAP2METAP1MAPTMEN1LMNA
SCHEMBL2677265 0.77 IDO1 (0.58) METAP2METAP1MAPTMEN1LMNA
SCHEMBL24742273 0.77 IDO1 (0.58) METAP2METAP1MAPTMEN1LMNA
SCHEMBL8211603 0.77 SLC6A3 (0.52) SLC6A2SLC6A4SLC6A3METAP2GABBR2
SCHEMBL2677194 0.75 IDO1 (0.55) MAPTMEN1LMNAHTR1EKMT2A
SCHEMBL20721292 0.75 IDO1 (0.55) MAPTMEN1LMNAHTR1EKMT2A
SCHEMBL295253 0.75 IDO1 (0.55) MAPTMEN1LMNAHTR1EKMT2A

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 SLC6A2 1320/4885SLC6A4 1846/4885SLC6A3 1047/4885

“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.