SCHEMBL20855331

SCHEMBL20855331

CC(C)c1nc2ccccc2c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.54
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAOA P21397 2/20 0.41
GLA P06280 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL30277502 1.00 GPR3 (0.54) GPR3KMT2APOLBALDH1A1HPGD
SCHEMBL15423522 0.84 KDM1A (0.45) GPR3KMT2ACASP1CASP7SMN1; SMN2
SCHEMBL30277347 0.84 MAOA (0.49) GPR3KMT2AALDH1A1KDM4EMAOA
SCHEMBL16414501 0.83 GPR3 (0.50) GPR3KMT2APOLBALDH1A1HPGD
SCHEMBL11735484 0.83 NPSR1 (0.46) GPR3KMT2APOLBALDH1A1HPGD
SCHEMBL12533983 0.80 GPR3 (0.47) GPR3KMT2APOLBALDH1A1HPGD
SCHEMBL19447775 0.80 CYP1A2 (0.47) GPR3KMT2AALDH1A1HPGDKDM4E
SCHEMBL18307263 0.80 ABCG2 (0.41) GPR3POLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL13578782 0.79 HTT (0.49) GPR3KMT2APOLBALDH1A1HPGD
SCHEMBL29181141 0.79 HSD17B10 (0.59) KMT2APOLBALDH1A1HPGDKDM4E

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-20210066598-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-03-04 US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 WO disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 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-20210066598-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD1, OCIAD2 GPR3 1936/4885KMT2A 4268/4885POLB 957/4885
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 GPR3 3068/4885KMT2A 1763/4885POLB 507/4885

“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.