SCHEMBL22607967

SCHEMBL22607967

CCCCCC(O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
UCHL3 P15374 1/20 1.00
GALR3 O60755 1/20 0.76
ALDH1A1 P00352 5/20 0.73
TRPA1 O75762 4/20 0.73
HPGD P15428 2/20 0.73
LMNA P02545 2/20 0.73
MEN1 O00255 1/20 0.73
POLB P06746 1/20 0.73
NR4A1 P22736 1/20 0.73
PTPN7 P35236 1/20 0.73
KMT2A Q03164 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HIF1A Q16665 1/20 0.73
SLCO2A1 Q92959 2/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.62
PTGER4 P35408 4/20 0.56
PTGER2 P43116 3/20 0.56
PTGER1 P34995 3/20 0.56
PTGER3 P43115 3/20 0.56

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
SCHEMBL13649348 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL8350588 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL13905975 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL5700584 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL5700581 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL25608056 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL8350586 1.00 MAPT (1.00) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL14948544 0.92 MAPT (0.85) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL10865862 0.92 MAPT (0.85) MAPTUCHL3GALR3ALDH1A1TRPA1
SCHEMBL11119548 0.92 MAPT (0.85) MAPTUCHL3GALR3ALDH1A1TRPA1

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-12036195-B2 Co-crystals of NURR1-lbd in complex with a cyclopentenone prostaglandin and modulators of NURR1 NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-16 US disclosed
US-20210059997-A1 PROPHYLACTIC AGENT AND/OR THERAPEUTIC AGENT FOR CATARACT, MEDICINAL COMPOSITION FOR PREVENTING AND/OR TREATING CATARACT, USE OF PPAR ACTIVATOR FOR PRODUCING SAME, AND EYEDROPS UNIVERSITY OF FUKUI (JP) 2021-03-04 US disclosed
EP-3733203-A1 PROPHYLACTIC AGENT AND/OR THERAPEUTIC AGENT FOR CATARACT, MEDICINAL COMPOSITION FOR PREVENTING AND/OR TREATING CATARACT, USE OF PPAR ACTIVATOR FOR PRODUCING SAME, AND EYEDROPS University of Fukui (JP) 2020-11-04 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-12036195-B2 Co-crystals of NURR1-lbd in complex with a cyclopentenone prostaglandin and modulators of NURR1 NCOR1, NCOA1, NR0B1 MAPT 2652/4885UCHL3 3147/4885GALR3 1319/4885

“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.