SCHEMBL1036253

SCHEMBL1036253

N#Cc1cccc2c1-c1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
KCNH2 Q12809 2/20 0.44
POLB P06746 1/20 0.43
MAOA P21397 1/20 0.42
TRPA1 O75762 2/20 0.41
PDK2 Q15119 1/20 0.41
HTR2B P41595 1/20 0.40
ESR2 Q92731 1/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DRD4 P21917 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
SCHEMBL28571180 0.86 MAOA (0.55) DRD2KCNH2POLBMAOAPDK2
SCHEMBL819087 0.86 KCNH2 (0.46) DRD2KCNH2TRPA1PDK2HTR2B
SCHEMBL17954603 0.85 DRD2 (0.46) DRD2KCNH2TRPA1PDK2HTR2B
Fluorene SCHEMBL29055454 0.84 MAOA (0.48) KCNH2MAOATRPA1ESR2DRD3
SCHEMBL11677346 0.81 TRPA1 (0.42) DRD2KCNH2MAOATRPA1PDK2
SCHEMBL17954602 0.81 TRPA1 (0.42) DRD2KCNH2MAOATRPA1PDK2
SCHEMBL2120189 0.81 MAOA (0.47) DRD2KCNH2POLBMAOAHTR2B
SCHEMBL17954606 0.81 TRPA1 (0.41) DRD2KCNH2MAOATRPA1PDK2
SCHEMBL17954612 0.80 SQOR (0.40) KCNH2POLBMAOATRPA1PDK2
SCHEMBL23862771 0.80 KCNH2 (0.41) DRD2KCNH2PDK2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046598-B Novel donor-acceptor fluorene scaffolds: a process and uses thereof COUNCIL SCIENT IND RES 2015-02-04 CN claimed
CN-102046598-A Novel donor-acceptor fluorene scaffolds : a process and uses thereof COUNCIL SCIENT IND RES 2011-05-04 CN claimed
US-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 US disclosed
US-20160218300-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-07-28 US disclosed
CN-102046598-B Novel donor-acceptor fluorene scaffolds: a process and uses thereof COUNCIL SCIENT IND RES 2015-02-04 CN disclosed
US-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
CN-102046598-A Novel donor-acceptor fluorene scaffolds : a process and uses thereof COUNCIL SCIENT IND RES 2011-05-04 CN disclosed
EP-2276733-A2 NOVEL DONOR-ACCEPTOR FLUORENE SCAFFOLDS: A PROCESS AND USES THEREOF Council Of Scientific & Industrial Research (IN) 2011-01-26 EP disclosed
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
EP-1817392-B1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
EP-1817392-A1 FLUORESCENT DIKETOPYRROLOPYRROLES Ciba Specialty Chemicals Holding Inc. (CH) 2007-08-15 EP disclosed
WO-2006061343-A1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-15 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 (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-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance TYR, MC1R, IK DRD2 1661/4885KCNH2 245/4885POLB 3563/4885
US-20160218300-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP DRD2 522/4885KCNH2 816/4885POLB 2757/4885

“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.