SCHEMBL15345849

SCHEMBL15345849

NCc1ccc(Oc2ccccc2)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
DPP4 P27487 1/20 0.46
RHEB Q15382 1/20 0.40
RIPK1 Q13546 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PLA2G2A P14555 1/20 0.39
TTR P02766 1/20 0.39
CAMK2A Q9UQM7 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL15345550 0.91 HRH1 (0.56) HRH1DPP4RHEBRIPK1SLC6A2
SCHEMBL4447070 0.86 HRH1 (0.64) HRH1DPP4SLC6A4LTA4HPLA2G2A
SCHEMBL4448343 0.83 TTR (0.51) HRH1RHEBRIPK1SLC6A2SLC6A4
SCHEMBL536544 0.82 LTA4H (0.58) HRH1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7852798 0.81 HRH1 (0.41) HRH1RIPK1SLC6A2SLC6A4CYP1A2
SCHEMBL7648320 0.81 HRH1 (0.41) HRH1RIPK1SLC6A2SLC6A4CYP1A2
SCHEMBL7650237 0.79 HRH1 (0.42) HRH1RIPK1SLC6A2SLC6A4CYP1A2
SCHEMBL7859967 0.78 PLA2G10 (0.47) CYP2C9TTRCAMK2AADRA2C
SCHEMBL7861077 0.77 CAMK2A (0.60) CYP2C9TTRCAMK2A
SCHEMBL4454379 0.77 FFAR1 (0.38) HRH1RIPK1SLC6A2SLC6A4LTA4H

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 4821/4885RHEB 4261/4885

“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.