SCHEMBL15345338

SCHEMBL15345338

CCc1cc(CN)c2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
HTR6 P50406 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
F2 P00734 2/20 0.38
SIGMAR1 Q99720 4/20 0.37
TP53 P04637 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL29706450 0.86 CYP1A2 (0.52) HTR2ACYP1A2CYP2A6HTR6F2
SCHEMBL5682912 0.86 CYP1A2 (0.52) HTR2ACYP1A2CYP2A6HTR6F2
SCHEMBL8655955 0.86 HTR2A (0.52) HTR2ACYP1A2CYP2A6LOXL2F2
SCHEMBL15345376 0.85 HTR2A (0.47) HTR2ACYP1A2CYP2A6HTR6LOXL2
SCHEMBL17919574 0.83 CYP1A2 (0.48) CYP1A2CYP2A6HTR6F2SIGMAR1
SCHEMBL15345770 0.83 TLR8 (0.42) HTR2ACYP1A2CYP2D6LMNAMAPT
SCHEMBL15345367 0.80 MAPT (0.47) HTR2AMAPT
SCHEMBL15345462 0.80 MAPT (0.47) HTR2AMAPT
SCHEMBL15345481 0.80 HTR2A (0.46) HTR2ALOXL2
SCHEMBL15345818 0.80 CYP1A2 (0.50) HTR2ACYP1A2CYP2A6SIGMAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
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 (2 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 HTR2A 700/4885CYP1A2 98/4885CYP2A6 278/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B HTR2A 2700/4885CYP1A2 2538/4885CYP2A6 2951/4885

“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.