SCHEMBL7796875

SCHEMBL7796875

C=CCOc1ccc(C=O)c(C)c1.CN(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
FGFR1 P11362 1/20 0.39
KAT6A Q92794 1/20 0.36
S1PR1 P21453 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
NR3C1 P04150 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7786825 0.85 KAT6A (0.41) ALDH1A1GAAHPGDFGFR1KAT6A
SCHEMBL4501693 0.84 ALDH1A1 (0.54) ALDH1A1GAAHPGDFGFR1MAPT
SCHEMBL28517850 0.73 ALDH1A1 (0.49) ALDH1A1GAAHPGDFGFR1MAPT
SCHEMBL30663841 0.71 MAOB (0.56) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL498282 0.71 MAOB (0.56) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22322049 0.70 ALDH1A1 (0.41) ALDH1A1GAAHPGDS1PR1MAPT
SCHEMBL8387242 0.69 PPARG (0.47) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL8387240 0.69 PPARG (0.47) ALDH1A1GAAHPGDMAPTLMNA
SCHEMBL1520406 0.69 ALDH1A1 (0.47) ALDH1A1GAAHPGDFGFR1MAPT
SCHEMBL3721962 0.68 ALDH1A1 (0.47) ALDH1A1GAAHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
EP-0906755-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-04-07 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 ALDH1A1 1209/4885GAA 3608/4885HPGD 892/4885

“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.