SCHEMBL20232146

SCHEMBL20232146

c1ccc(-c2ccc3[nH]c4ccccc4c4ccccc4c4ccccc4c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.59
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GPR3 P46089 2/20 0.56
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
KIF11 P52732 5/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
JAK2 O60674 1/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRA6 Q16445 2/20 0.48

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
SCHEMBL321006 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL3416446 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
Carbazole SCHEMBL28016972 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL7647500 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL20233957 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL29407417 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL30846841 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL20234009 0.98 AHR (0.61) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL20232184 0.96 CDK4 (0.54) AHRHSD17B10ALDH1A1GPR3CDK4
SCHEMBL21096036 0.94 AHR (0.57) AHRHSD17B10ALDH1A1GPR3CDK4

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 AHR 75/4885HSD17B10 1751/4885ALDH1A1 221/4885
US-11329233-B2 Heterocyclic compounds for use in electronic devices NQO1, DDT, ETV6 AHR 75/4885HSD17B10 1751/4885ALDH1A1 221/4885

“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.