SCHEMBL20101429

SCHEMBL20101429

CCn1ccc2ccc3ccoc3c21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
HTR1A P08908 4/20 0.32
DRD3 P35462 4/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL25883911 0.76 CYP19A1 (0.37) MAOAMAOB
SCHEMBL20101430 0.76 HTR2A (0.43) CDK4CCND1HTR1ADRD3HTR2A
SCHEMBL20101432 0.69 CDK4 (0.36) CDK4CCND1HTR2AHTR2C
SCHEMBL29763644 0.67 HTR2A (0.63) CDK4CCND1HTR2AHTR2CHTR2B
SCHEMBL25798844 0.67 HTR2A (0.63) CDK4CCND1HTR2AHTR2CHTR2B
SCHEMBL15676807 0.67 BACE1 (0.48) CDK4CCND1HTR2AHTR2C
SCHEMBL29591293 0.66 MAOA (0.46) HTR1ADRD3HTR2AHTR2CHTR2B
SCHEMBL4419988 0.66 MAOA (0.46) HTR1ADRD3HTR2AHTR2CHTR2B
SCHEMBL25883909 0.66 FAAH (0.36) HTR2AHTR2CMAOA
SCHEMBL25883898 0.66 KDM4E (0.38) HTR2AHTR2CMAOA

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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 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-20180123051-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 CDK4 2660/4885CCND1 2712/4885HTR1A 4868/4885

“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.