SCHEMBL18334648

SCHEMBL18334648

Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2ccsc2-c2sccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ TDP2 O95551 1/20 0.35
▸ AKR1A1 P14550 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ S100A4 P26447 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ CMA1 P23946 1/20 0.30
▸ AHR P35869 1/20 0.30

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
SCHEMBL31513486 0.87 PDK2 (0.44) PDK2TDP2
SCHEMBL23568056 0.87 PDK2 (0.44) PDK2TDP2
SCHEMBL23568673 0.87 PDK2 (0.44) PDK2TDP2
SCHEMBL29404184 0.82 PDK2 (0.47) PDK2TDP2AKR1A1AKR1B1S100A4
SCHEMBL437007 0.82 PDK2 (0.47) PDK2TDP2AKR1A1AKR1B1S100A4
SCHEMBL21005872 0.78 ALDH1A1 (0.33) CYP2A6
SCHEMBL27638900 0.78 PDK2 (0.37) PDK2TDP2AKR1A1AKR1B1S100A4
SCHEMBL12027473 0.77 CES1 (0.38) —
SCHEMBL23568686 0.75 TDP2 (0.33) PDK2TDP2S100A4CA1CA2
SCHEMBL21939620 0.74 PDK2 (0.41) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10727414-B2 Functional hole transport materials for optoelectronic and/or electrochemical devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2020-07-28 — — US disclosed
US-10727414-B2 Functional hole transport materials for optoelectronic and/or electrochemical devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2020-07-28 — — US disclosed
US-20180190911-A1 FUNCTIONAL HOLE TRANSPORT MATERIALS FOR OPTOELECTRONIC AND/OR ELECTROCHEMICAL DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-05 — — US disclosed
US-20180190911-A1 FUNCTIONAL HOLE TRANSPORT MATERIALS FOR OPTOELECTRONIC AND/OR ELECTROCHEMICAL DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-05 — — US disclosed
WO-2016207775-A1 FUNCTIONAL HOLE TRANSPORT MATERIALS FOR OPTOELECTRONIC AND/OR ELECTROCHEMICAL DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-12-29 — — WO disclosed
EP-3109912-A1 FUNCTIONAL HOLE TRANSPORT MATERIALS FOR OPTOELECTRONIC AND /OR ELECTROCHEMICAL DEVICES Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2016-12-28 — — EP 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-20180190911-A1 FUNCTIONAL HOLE TRANSPORT MATERIALS FOR OPTOELECTRONIC AND/OR ELECTROCHEMICAL DEVICES SLCO2A1, SLCO4C1, SLCO1A2 PDK2 2455/4885TDP2 3993/4885AKR1A1 1183/4885
US-10727414-B2 Functional hole transport materials for optoelectronic and/or electrochemical devices SLCO2A1, SLCO4C1, SLCO1A2 PDK2 2455/4885TDP2 3993/4885AKR1A1 1183/4885

“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.

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