SCHEMBL21695305

SCHEMBL21695305

CC(C)(C)C(C)(N)n1c2ccccc2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HBB P68871 1/20 0.34

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
SCHEMBL28023867 0.82 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL20691793 0.82 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18995603 0.77 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL29625463 0.77 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL2608424 0.77 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18381750 0.75 GPR3 (0.50) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL15836286 0.73 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL24359753 0.72 GPR3 (0.39) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL26016240 0.70 KIF11 (0.45) GPR3KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL18595609 0.70 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E

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-10559762-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-02-11 — — 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-10559762-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device TEAD1, TEAD2, TRPA1 GPR3 2734/4885CYP1A2 1766/4885CYP2C19 767/4885

“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.

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