SCHEMBL22490105

SCHEMBL22490105

Cc1ccc2c(C)nc3ccccc3c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.70
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
HPGD P15428 1/20 0.53
NUDT1 P36639 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOA P21397 1/20 0.50
NQO2 P16083 1/20 0.48
PSMB5 P28074 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ADORA2A P29274 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM1A O60341 1/20 0.43
PDE10A Q9Y233 1/20 0.43
BACE1 P56817 1/20 0.43
NCF1 P14598 1/20 0.43

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
SCHEMBL28445558 0.93 GPR3 (0.61) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL3259024 0.92 GPR3 (0.70) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL29538477 0.86 GPR3 (0.67) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL85621 0.83 GPR3 (1.00) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL21244207 0.81 GPR3 (0.66) GPR3ALDH1A1CYP1A2HPGDNUDT1
Hydrochloric Acid SCHEMBL3907848 0.81 GPR3 (0.95) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL23550746 0.80 GPR3 (0.69) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL28588653 0.80 GPR3 (0.69) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL5211858 0.79 GPR3 (0.61) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL5214625 0.79 KMT2A (0.48) GPR3ALDH1A1CYP1A2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308205-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-01 US 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-20200308205-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CYBA, CYC1, CRY2 GPR3 3944/4885ALDH1A1 174/4885CYP1A2 14/4885

“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.