SCHEMBL3239448

SCHEMBL3239448

C1=Cc2ccccc2C2C=C12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
THPO P40225 1/20 0.36
OPRK1 P41145 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
SCHEMBL20765348 0.80 HTR2A (0.37) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL2290547 0.74 HTR2A (0.39) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL8036851 0.72 HTR2A (0.50) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL11884483 0.71 HTR2A (0.37) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL6420010 0.67 HTR2A (0.50) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL10080430 0.67 HTR2A (0.56) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL1276091 0.67 HTR2A (0.50) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL31099344 0.67 HTR2A (0.50) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL5679950 0.67 HTR2A (0.50) HTR2ACYP2D6KDM4ELMNATP53
SCHEMBL11875463 0.67 BRD4 (0.53) HTR2ACYP2D6KDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118664-A1 Process for the Preparation of Fluorinated Diazoalkanes RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2018-05-03 US disclosed
US-7678394-B2 Analytical methods for identifying ginseng varieties SHEN BAIHUA 2010-03-16 US disclosed
US-20080175929-A1 ANALYTICAL METHODS FOR IDENTIFYING GINSENG VARIETIES SHEN BAIHUA 2008-07-24 US disclosed
EP-1940516-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Janssen Pharmaceutica, N.V. (BE) 2008-07-09 EP disclosed
EP-1937669-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO 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-20180118664-A1 Process for the Preparation of Fluorinated Diazoalkanes FLNA, PFAS, FLNB HTR2A 2428/4885CYP2D6 866/4885KDM4E 2761/4885

“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.