SCHEMBL24848832

SCHEMBL24848832

CC(C)(C)c1cccc(-c2ccccc2CC(C)(C)c2cccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL20079669 0.79 CYP19A1 (0.40) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL26077881 0.79 KCNA5 (0.40) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL18685265 0.71 CYP19A1 (0.38) KCNA5CYP19A1CYP3A4CYP1A2LMNA
SCHEMBL2732457 0.70 CYP2A6 (0.62) CYP19A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL18522359 0.68 CYP3A4 (0.41) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL27107957 0.68 CYP19A1 (0.40) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL17034787 0.67 IDO1 (0.41) CYP3A4CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL24996423 0.67 L3MBTL1 (0.46) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL24849063 0.67 CYP11B1 (0.39) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9
SCHEMBL18909914 0.66 KIF11 (0.53) KCNA5CYP19A1CYP3A4CYP1A2CYP2C9

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-20230002417-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-01-05 — — 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-20230002417-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 KCNA5 725/4885CYP19A1 212/4885CYP3A4 498/4885

“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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