SCHEMBL23989130

SCHEMBL23989130

Clc1ccc(-c2cccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.49
CYP1A2 P05177 1/20 0.44
ELANE P08246 1/20 0.37
CNR1 P21554 3/20 0.37
SUCNR1 Q9BXA5 1/20 0.36
TDP2 O95551 2/20 0.36
MAP4K4 O95819 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL30484155 0.90 PDK2 (0.46) PDK2CYP1A2SUCNR1MAP4K4
SCHEMBL23931062 0.90 PDK2 (0.46) PDK2CYP1A2SUCNR1MAP4K4
SCHEMBL30484149 0.88 PDK2 (0.44) PDK2CYP1A2SUCNR1
SCHEMBL19283454 0.88 PDK2 (0.44) PDK2CYP1A2SUCNR1
SCHEMBL23989133 0.87 PDK2 (0.54) PDK2TDP2PGR
SCHEMBL19299487 0.85 PDK2 (0.50) PDK2TDP2PGR
SCHEMBL25125318 0.84 PDK2 (0.47) PDK2CYP1A2ELANECNR1TDP2
SCHEMBL30708983 0.84 PDK2 (0.47) PDK2CYP1A2ELANECNR1TDP2
SCHEMBL19299490 0.84 PDK2 (0.41) PDK2CYP1A2TDP2PTGER1PTGER4
SCHEMBL23989253 0.82 PDK2 (0.49) PDK2TDP2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
WO-2021214348-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-10-28 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-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2E1, GPX1, ERCC1 PDK2 461/4885CYP1A2 46/4885ELANE 137/4885

“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.