SCHEMBL20232184

SCHEMBL20232184

c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c4ccccc4c4ccccc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
AHR P35869 1/20 0.52
JAK2 O60674 2/20 0.52
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GPR3 P46089 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
NPC1 O15118 1/20 0.47
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRA6 Q16445 2/20 0.47
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20232146 0.96 AHR (0.59) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL17154708 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL30300831 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL3365890 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL12001022 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL19041639 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL149685 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL29386403 0.96 CDK4 (0.57) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL20233957 0.94 AHR (0.61) CDK4CCND1AHRJAK2HSD17B10
SCHEMBL20234009 0.94 AHR (0.61) CDK4CCND1AHRJAK2HSD17B10

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
EP-3548481-B1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
US-11329233-B2 Heterocyclic compounds for use in electronic devices MERCK PATENT GMBH (DE) 2022-05-10 US disclosed
US-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018100029-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-07 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 (2 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-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES NQO1, DDT, ETV6 CDK4 1313/4885CCND1 1962/4885AHR 75/4885
US-11329233-B2 Heterocyclic compounds for use in electronic devices NQO1, DDT, ETV6 CDK4 1313/4885CCND1 1962/4885AHR 75/4885

“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.