SCHEMBL20850164

SCHEMBL20850164

Clc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccsc1-2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.44
▸ AKR1A1 P14550 2/20 0.40
▸ AKR1B1 P15121 2/20 0.40
▸ S100A4 P26447 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ PPOX P50336 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL9927262 0.85 PTPRC (0.39) PDK2S100A4PTPRCKDM4EMEN1
SCHEMBL19147675 0.83 PDK2 (0.58) PDK2AKR1A1AKR1B1S100A4GPR3
SCHEMBL20881134 0.83 PDK2 (0.34) PDK2AKR1A1AKR1B1
SCHEMBL20850470 0.82 HRH1 (0.33) PDK2CASP3MEN1LMNAMAPT
SCHEMBL23568056 0.82 PDK2 (0.44) PDK2PTPRCKDM4EMEN1LMNA
SCHEMBL23568673 0.82 PDK2 (0.44) PDK2PTPRCKDM4EMEN1LMNA
SCHEMBL31513486 0.82 PDK2 (0.44) PDK2PTPRCKDM4EMEN1LMNA
SCHEMBL17816711 0.82 PDK2 (0.56) PDK2AKR1A1AKR1B1S100A4GPR3
SCHEMBL21940539 0.80 PTPRC (0.41) PDK2S100A4PTPRCKDM4EMEN1
SCHEMBL21939620 0.80 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-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
WO-2021122868-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-06-24 — — WO disclosed
EP-3466937-B1 PHOTOELECTRIC CONVERSION ELEMENT, TWO-DIMENSIONAL SENSOR, IMAGE SENSOR AND IMAGING DEVICE CANON KK (JP) 2021-03-24 — — EP disclosed
US-10947212-B2 Photoelectric conversion element, two-dimensional sensor, image sensor, and image pickup device CANON KABUSHIKI KAISHA (JP) 2021-03-16 — — US disclosed
US-20190092743-A1 PHOTOELECTRIC CONVERSION ELEMENT, TWO-DIMENSIONAL SENSOR, IMAGE SENSOR, AND IMAGE PICKUP DEVICE CANON KABUSHIKI KAISHA (JP) 2019-03-28 — — 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 (3 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-20190092743-A1 PHOTOELECTRIC CONVERSION ELEMENT, TWO-DIMENSIONAL SENSOR, IMAGE SENSOR, AND IMAGE PICKUP DEVICE NR2E3, CRY2, GPR3 PDK2 828/4885AKR1A1 1464/4885AKR1B1 2143/4885
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, ETV6, ESR1 PDK2 611/4885AKR1A1 3124/4885AKR1B1 2817/4885
US-10947212-B2 Photoelectric conversion element, two-dimensional sensor, image sensor, and image pickup device NR2E3, CRY2, GPR3 PDK2 828/4885AKR1A1 1464/4885AKR1B1 2143/4885

“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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