SCHEMBL25625871

SCHEMBL25625871

Cc1cc2ccccc2c2ccc3cnccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CYP1A2 P05177 3/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 4/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CYP11B1 P15538 2/20 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
SCHEMBL597682 0.83 ALDH1A1 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30286397 0.83 ALDH1A1 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30719863 0.77 HPRT1 (0.61) CDK4CCND1CYP1A2ALDH1A1MAPT
SCHEMBL2930993 0.77 HPRT1 (0.61) CDK4CCND1CYP1A2ALDH1A1MAPT
SCHEMBL27186836 0.77 HPRT1 (0.61) CDK4CCND1CYP1A2ALDH1A1MAPT
SCHEMBL29539263 0.77 HPRT1 (0.61) CDK4CCND1CYP1A2ALDH1A1MAPT
SCHEMBL3693486 0.77 CYP3A4 (0.57) CDK4CCND1CYP1A2MAOAALDH1A1
SCHEMBL29398977 0.77 CYP3A4 (0.57) CDK4CCND1CYP1A2MAOAALDH1A1
SCHEMBL25273572 0.77 HIPK2 (0.52) CYP1A2ACHEALDH1A1MAPTKMT2A
SCHEMBL30464345 0.77 HIPK2 (0.52) CYP1A2MAOAACHEALDH1A1MAPT

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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2023-06-22 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-20230192719-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR10J3, CRY1, RPS19 CDK4 570/4885CCND1 179/4885CYP1A2 646/4885

“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.