SCHEMBL23712595

SCHEMBL23712595

CO/C=C(/C(=O)OC)c1cc(Br)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
SORT1 Q99523 1/20 0.36
STAT3 P40763 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
NR4A2 P43354 1/20 0.35
CES2 O00748 1/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL25469462 0.88 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8359584 0.84 MEN1 (0.41) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL8359585 0.84 MEN1 (0.41) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL23712726 0.84 HPGD (0.51) ALDH1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL23712859 0.83 CA12 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL26714036 0.82 HPGD (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL26714248 0.82 NPC1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL23733261 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL23712868 0.82 MEN1 (0.31) MAPTGAAMEN1KMT2A
SCHEMBL30593675 0.81 CYP4F2 (0.42) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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
US-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 US disclosed
US-20230150909-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-18 US disclosed
WO-2021153794-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE 住友化学株式会社 2021-08-05 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 (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-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SQOR, CYC1, COX5B ALDH1A1 4194/4885CYP1A2 210/4885CYP2C9 18/4885
US-20230150909-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF FAR1, NOTUM, ME1 ALDH1A1 175/4885CYP1A2 146/4885CYP2C9 398/4885

“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.