SCHEMBL5762894

SCHEMBL5762894

Brc1ccc2c(c1)C(c1ccccc1-c1ccccc1)(c1ccccc1-c1ccccc1)c1cc(Br)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PTPRC P08575 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ SLC27A2 O14975 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
SCHEMBL5761084 1.00 PDK2 (0.50) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL5763937 0.95 PDK2 (0.46) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL29602609 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL783450 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL29399278 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL29397249 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL996751 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL783463 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL29574412 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1
SCHEMBL29511719 0.91 PDK2 (0.58) PDK2ALDH1A1MAPK1PTPRCOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690847-B1 pi-conjugated compound having cardo structure, process for the preparation thereof and use thereof TOSOH CORP (JP) 2016-06-22 — — EP disclosed
US-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same TOSOH CORPORATION (JP) 2006-08-24 — — US disclosed
EP-1690847-A1 pi-Conjugated compound having cardo structure, process for the preparation thereof and use thereof Tosoh Corporation (JP) 2006-08-16 — — 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 (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-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same ARL1, TERB1, LEO1 PDK2 3990/4885ALDH1A1 2247/4885MAPK1 1410/4885

“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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