SCHEMBL19832012

SCHEMBL19832012

c1ccc2c(c1)ccc1c3cc4[nH]c5ccc6ccccc6c5c4cc3sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.41
CCND1 P24385 7/20 0.41
CYP1A1 P04798 5/20 0.37
CYP1B1 Q16678 5/20 0.37
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
AHR P35869 1/20 0.35
KIF11 P52732 1/20 0.34
NQO1 P15559 1/20 0.34
NQO2 P16083 1/20 0.34
GABRP O00591 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
SCHEMBL19636235 0.94 CDK4 (0.41) CDK4CCND1CYP1A1CYP1B1CYP1A2
SCHEMBL19636219 0.86 CDK4 (0.43) CDK4CCND1CYP1B1KDM4EALDH1A1
SCHEMBL19636072 0.86 CDK4 (0.43) CDK4CCND1KDM4EALDH1A1MEN1
SCHEMBL19831907 0.86 CYP1B1 (0.41) CDK4CCND1CYP1A1CYP1B1CYP1A2
SCHEMBL19832015 0.86 AHR (0.53) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1
SCHEMBL18107139 0.84 CDK4 (0.44) CDK4CCND1CYP1B1CYP1A2KDM4E
SCHEMBL19636333 0.82 CDK4 (0.40) CDK4CCND1CYP1A2KDM4EALDH1A1
SCHEMBL19573697 0.82 CYP1B1 (0.40) CDK4CCND1CYP1A1CYP1B1CYP1A2
SCHEMBL19636226 0.82 KIF11 (0.53) CDK4CCND1CYP1A1CYP1B1CYP1A2
SCHEMBL19573591 0.82 CDK4 (0.39) CDK4CCND1CYP1B1CYP1A2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-12-21 US disclosed
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed
US-20190189927-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-06-20 US disclosed
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 WO 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-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof PIEZO1, OR51E2, ORAI2 CDK4 1656/4885CCND1 2140/4885CYP1A1 3577/4885

“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.