SCHEMBL19299490

SCHEMBL19299490

Clc1cc(-c2ccccc2)cc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.41
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
DUSP3 P51452 1/20 0.33
CYP2A6 P11509 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
TDP2 O95551 2/20 0.33
PGR P06401 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL24279517 0.92 PDK2 (0.39) PDK2RXRARXRBCYP1A2THRB
SCHEMBL23989203 0.90 PDK2 (0.45) PDK2RXRARXRBAKR1A1AKR1B1
SCHEMBL19299617 0.89 PDK2 (0.39) PDK2RXRARXRB
SCHEMBL23989253 0.89 PDK2 (0.49) PDK2RXRARXRBAKR1A1AKR1B1
SCHEMBL19237185 0.86 PDK2 (0.43) PDK2RXRARXRBCYP1A2PTPN1
SCHEMBL19299487 0.85 PDK2 (0.50) PDK2AKR1A1AKR1B1TDP2PGR
SCHEMBL24279381 0.84 PDK2 (0.40) PDK2RXRARXRBCYP1A2TDP2
SCHEMBL23989133 0.84 PDK2 (0.54) PDK2TDP2PGR
SCHEMBL23989130 0.84 PDK2 (0.49) PDK2CYP1A2TDP2PGRPTGER1
SCHEMBL27202120 0.84 PDK2 (0.41) PDK2RXRARXRBCYP1A2AKR1A1

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
US-11538996-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 EP disclosed
US-10454041-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
WO-2017144150-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-31 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-10454041-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 PDK2 1325/4885RXRA 4597/4885RXRB 4618/4885
US-11538996-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 PDK2 1325/4885RXRA 4597/4885RXRB 4618/4885

“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.