SCHEMBL15345394

SCHEMBL15345394

NCc1cccc2cccc(Oc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.54
DPP4 P27487 1/20 0.51
RIPK1 Q13546 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
MAOA P21397 1/20 0.40
ADRA2C P18825 1/20 0.40
CTNNB1 P35222 1/20 0.39
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LTA4H P09960 2/20 0.37
PLA2G2A P14555 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 2/20 0.37

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
SCHEMBL1196716 0.81 HRH1 (0.71) HRH1DPP4RIPK1SLC6A2SLC6A4
SCHEMBL4209149 0.80 DPP4 (0.66) HRH1DPP4RIPK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2462369 0.80 HRH1 (0.69) HRH1DPP4RIPK1SLC6A2SLC6A4
SCHEMBL13687729 0.79 HRH1 (0.58) HRH1DPP4RIPK1SLC6A2SLC6A4
SCHEMBL15345550 0.77 HRH1 (0.56) HRH1DPP4RIPK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL921538 0.77 HRH1 (0.56) HRH1DPP4RIPK1SLC6A2SLC6A4
SCHEMBL15345323 0.77 TAAR1 (0.48) ALDH1A1LMNAGAAKMT2A
SCHEMBL15345592 0.77 HRH1 (0.50) HRH1DPP4RIPK1SLC6A2SLC6A4
SCHEMBL31284939 0.74 PNMT (0.48) DPP4ALDH1A1HPGDTSHR
SCHEMBL9817745 0.74 PNMT (0.48) DPP4ALDH1A1HPGDTSHR

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 HRH1 67/4885DPP4 4821/4885RIPK1 3245/4885

“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.