SCHEMBL19001692

SCHEMBL19001692

Clc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4)cc31)c1cccc(Br)c1-2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.44
PGR P06401 2/20 0.37
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
TDP2 O95551 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL20687337 0.97 PDK2 (0.43) PDK2PGRAKR1A1AKR1B1TDP2
SCHEMBL19001700 0.92 PDK2 (0.39) PDK2PGRAKR1A1AKR1B1TDP2
SCHEMBL15840172 0.92 PDK2 (0.46) PDK2
SCHEMBL19001702 0.92 PDK2 (0.46) PDK2
SCHEMBL15840175 0.92 PDK2 (0.46) PDK2
SCHEMBL19001688 0.91 PDK2 (0.47) PDK2AKR1A1AKR1B1
SCHEMBL19001693 0.90 PDK2 (0.42) PDK2AKR1A1AKR1B1
SCHEMBL19001985 0.90 PDK2 (0.43) PDK2
SCHEMBL20687347 0.88 PDK2 (0.40) PDK2AKR1A1AKR1B1
SCHEMBL21102598 0.87 PDK2 (0.39) PDK2PGRAKR1A1AKR1B1TDP2

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-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
US-20200212301-A1 SPIROBIFLUORENE DERIVATIVES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
WO-2019020654-A1 SPIROBIFLUORENE DERIVATIVES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-31 WO disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 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-20200212301-A1 SPIROBIFLUORENE DERIVATIVES FOR USE IN ELECTRONIC DEVICES SELE, KCNB2, SCNN1B PDK2 382/4885PGR 1276/4885AKR1A1 1179/4885

“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.