SCHEMBL20101423

SCHEMBL20101423

CCn1ccc2ccc3ccsc3c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
PDE7A Q13946 5/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP19A1 P11511 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE7B Q9NP56 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL22796965 0.79 KDM4E (0.43) PDE7AKDM4EMEN1MAPTKMT2A
SCHEMBL20101431 0.76 HTR2A (0.43) CDK4CCND1HTR2AHTR2CKDM4E
SCHEMBL17243646 0.76 PDE7A (0.36) PDE7AMEN1KMT2AL3MBTL1PDE4B
SCHEMBL20101432 0.69 CDK4 (0.36) CDK4CCND1HTR2AHTR2CCYP19A1
SCHEMBL29763644 0.67 HTR2A (0.63) CDK4CCND1HTR2AHTR2CKDM4E
SCHEMBL18464511 0.66 PDE7A (0.31) PDE7AKDM4EMEN1MAPTKMT2A
SCHEMBL793638 0.66 CYP2A6 (0.46) CYP2A6
SCHEMBL20101419 0.65 CYP19A1 (0.31) CDK4CCND1CYP19A1
SCHEMBL20101429 0.64 CDK4 (0.33) CDK4CCND1HTR2AHTR2C
SCHEMBL11081014 0.64 ADRA2A (0.50) CDK4CCND1HTR2AHTR2CCYP19A1

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 2712/4885PDE7A 2100/4885

“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.