SCHEMBL20101422

SCHEMBL20101422

CCn1ccc2ccc3c(ccn3C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
DHFR P00374 1/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNE2 O96020 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CYP2A6 P11509 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2B P41595 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL26569882 0.81 PRKCI (0.44) PRKCIDHFRCDK4CCND1CCNE2
SCHEMBL20101432 0.80 CDK4 (0.36) HTR2AHTR2CCDK4CCND1CCNE2
SCHEMBL25798844 0.73 HTR2A (0.63) HTR2AHTR2CCDK4CCND1CCNE2
SCHEMBL26569892 0.70 KDM4E (0.50) PRKCIDHFRCYP2A6KDM4EMAPT
SCHEMBL20101431 0.68 HTR2A (0.43) HTR2AHTR2CCDK4CCND1CCNE2
SCHEMBL20101430 0.68 HTR2A (0.43) HTR2AHTR2CCDK4CCND1CCNE2
SCHEMBL14985335 0.67 PRKCI (0.45) PRKCIDHFRCYP2A6L3MBTL1KDM4E
SCHEMBL17426202 0.66 KDM4E (0.46) PRKCIDHFRCYP2A6KDM4EMAPT
SCHEMBL12278359 0.66 KDM4E (0.46) PRKCIDHFRCYP2A6KDM4EMAPT
SCHEMBL26569884 0.65 CYP2A6 (0.40) PRKCICDK4CCND1CCNE2PRKACA

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 PRKCI 2137/4885HTR2A 4848/4885HTR2C 4870/4885

“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.