SCHEMBL25469462

SCHEMBL25469462

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 6/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 4/20 0.38
SORT1 Q99523 1/20 0.38
STAT3 P40763 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A2 P43354 1/20 0.37
CES2 O00748 1/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL23712595 0.88 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL22789922 0.87 MAPT (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL26714036 0.85 HPGD (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL25469466 0.83 HPGD (0.54) ALDH1A1CYP1A2MAPTGAAKDM4E
SCHEMBL155514 0.78 NR4A2 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30017691 0.78 NR4A2 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23712732 0.76 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL18560304 0.76 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL9723735 0.76 NPC1 (0.45) ALDH1A1MAPTGAAKDM4ENPC1
SCHEMBL5998811 0.76 NPC1 (0.45) ALDH1A1MAPTGAAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150909-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-18 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 (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-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.