SCHEMBL21666541

SCHEMBL21666541

Clc1ccc(-c2ccccc2-c2cccc3c2C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ELANE P08246 1/20 0.35
AHR P35869 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL21666534 0.95 PDK2 (0.38) PDK2PTGS2PTGS1ELANEAHR
SCHEMBL21666445 0.94 PDK2 (0.40) PDK2PTGS2PTGS1ELANEAHR
SCHEMBL21666306 0.86 PDK2 (0.38) PDK2ELANEMAPK1KDM4ENPC1
SCHEMBL30484149 0.84 PDK2 (0.44) PDK2PTGS2PTGS1SLC6A4SLC6A3
SCHEMBL19283454 0.84 PDK2 (0.44) PDK2PTGS2PTGS1SLC6A4SLC6A3
SCHEMBL23931062 0.82 PDK2 (0.46) PDK2PTGS2PTGS1SLC6A4SLC6A3
SCHEMBL30484155 0.82 PDK2 (0.46) PDK2PTGS2PTGS1SLC6A4SLC6A3
SCHEMBL24027620 0.82 ELANE (0.35) PDK2PTGS2PTGS1ELANEAHR
SCHEMBL23028724 0.82 SMN1; SMN2 (0.42) PDK2AHRSLC6A4SLC6A3MAOB
SCHEMBL21666300 0.81 PDK2 (0.43) PDK2AHRMAOBMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255151-A2 SPIRO[FLUORENE-9,9'-(THIO)XANTHENE] COMPOUNDS Merck Patent GmbH (DE) 2023-10-04 EP disclosed
EP-4113643-B1 SPIRO[FLUORENE-9,9'-(THIO)XANTHENE] COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-09 EP disclosed
EP-3523834-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
EP-4113643-A1 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2023-01-04 EP disclosed
US-20200044160-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-02-06 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-20200044160-A1 ELECTRONIC DEVICE XDH, AOX1, OCIAD1 PDK2 955/4885PTGS2 2166/4885PTGS1 2399/4885

“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.