SCHEMBL29547954

SCHEMBL29547954

C/C(=N\CC/N=C(\C)c1cc(C(F)(F)F)ccc1O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CES2 O00748 2/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ TMPRSS4 Q9NRS4 5/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL25400369 1.00 GAA (0.46) GAAMEN1KMT2ACES2PTGS2
SCHEMBL24440730 0.83 CES2 (0.39) GAAMEN1KMT2ACES2PDE2A
SCHEMBL17141748 0.79 MEN1 (0.43) GAAMEN1KMT2ACES2PTGS2
SCHEMBL320481 0.75 CES2 (0.52) MEN1KMT2ACES2TMPRSS4ALDH1A1
SCHEMBL30062195 0.75 CES2 (0.52) MEN1KMT2ACES2TMPRSS4ALDH1A1
SCHEMBL686342 0.72 KDM1A (0.57) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL24450665 0.71 MEN1 (0.47) MEN1KMT2ACES2TMPRSS4ALDH1A1
SCHEMBL18817944 0.71 TMPRSS4 (0.46) GAAMEN1KMT2ACES2PTGS2
SCHEMBL18817947 0.71 TMPRSS4 (0.46) GAAMEN1KMT2ACES2PTGS2
SCHEMBL9921091 0.70 KDM1A (0.69) GAAMEN1KMT2AALDH1A1KDM4E

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-4244910-B1 CERIUM-ETHYLENEDIAMINE KETONE-TYPE AND CERIUM-SALEN-TYPE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS Credoxys GmbH (DE) 2024-12-11 — — EP disclosed
US-20230422602-A1 CERIUM-ETHYLENEDIAMINE KETONE-TYPE AND CERIUM-SALEN-TYPE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS Credoxys GmbH (DE) 2023-12-28 — — US disclosed
EP-4244910-A1 CERIUM-ETHYLENEDIAMINE KETONE-TYPE AND CERIUM-SALEN-TYPE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS Credoxys GmbH c/o Institut for Applied Physics (DE) 2023-09-20 — — EP disclosed
WO-2022101343-A1 CERIUM-ETHYLENEDIAMINE KETONE-TYPE AND CERIUM-SALEN-TYPE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS Credoxys GmbH (DE) 2022-05-19 — — 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-20230422602-A1 CERIUM-ETHYLENEDIAMINE KETONE-TYPE AND CERIUM-SALEN-TYPE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS KCNH3, KCNE1, PDHA1 GAA 976/4885MEN1 2588/4885KMT2A 1571/4885

“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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