SCHEMBL20006624

SCHEMBL20006624

O=C(CCl)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
GSK3B P49841 1/20 0.46
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
MMP1 P03956 2/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PNLIP P16233 1/20 0.39

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
SCHEMBL928519 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL14637734 0.86 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL29880235 0.86 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL2774480 0.86 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AGSK3BERCC5
Bromide SCHEMBL28305879 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL28521601 0.81 TSHR (0.63) ALDH1A1MAPTRAB9AFLT1FLT4
SCHEMBL15725371 0.81 MAPT (0.53) ALDH1A1MAPK1HIF1AMAPTRAB9A
SCHEMBL29481555 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL1691536 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL29351910 0.80 MAOA (0.50) ALDH1A1MAPK1MAPTRAB9AFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639338-B1 Compound producing method, and compound KUREHA CORPORATION (JP) 2023-05-02 US disclosed
US-11639338-B1 Compound producing method, and compound KUREHA CORPORATION (JP) 2023-05-02 US disclosed
US-20230122812-A1 COMPOUND PRODUCING METHOD, AND COMPOUND KUREHA CORPORATION (JP) 2023-04-20 US disclosed
CN-115103839-B Process for producing compound and compound 株式会社吴羽 2023-04-04 CN disclosed
CN-115103839-A Process for producing compound and compound 株式会社吴羽 2022-09-23 CN disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
WO-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018054829-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 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 (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-11639338-B1 Compound producing method, and compound CA7, CYP3A7, GANC ALDH1A1 1175/4885MAPK1 2444/4885HIF1A 2585/4885
US-20230122812-A1 COMPOUND PRODUCING METHOD, AND COMPOUND CA7, CYP3A7, GANC ALDH1A1 1175/4885MAPK1 2444/4885HIF1A 2585/4885
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C ALDH1A1 3131/4885MAPK1 626/4885HIF1A 3711/4885

“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.