SCHEMBL29541196

SCHEMBL29541196

CC(=O)OC1COc2c(cccc2Oc2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ROCK2 O75116 1/20 0.33
RHEB Q15382 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SCN9A Q15858 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CARM1 Q86X55 1/20 0.33
LIPE Q05469 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MMP8 P22894 2/20 0.32

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
SCHEMBL20554327 0.78 PLA2G7 (0.41) SMN1; SMN2MAPT
SCHEMBL20554824 0.78 SLC6A4 (0.32) MAPT
SCHEMBL20554614 0.77 HTT (0.37) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL20554320 0.75 TP53 (0.41) HTTMAPTMTNR1AMTNR1BBRD4
SCHEMBL24088989 0.65 MTNR1A (0.52) MAPTSCN9AMTNR1AMTNR1B
SCHEMBL5583646 0.65 HTR1A (0.40) MEN1KMT2AMAPT
SCHEMBL11119565 0.65 MAOA (0.39) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL1196934 0.65 FABP7 (0.50) KMT2AGABRA1GABRB2MTNR1AMTNR1B
SCHEMBL30493000 0.65 FABP7 (0.50) KMT2AGABRA1GABRB2MTNR1AMTNR1B
SCHEMBL19054511 0.65 BRD4 (0.38) ALDH1A1GAASMN1; SMN2HTTMEN1

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-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 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 (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-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ALDH1A1 683/4885GAA 3230/4885SMN1; SMN2 813/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ALDH1A1 816/4885GAA 3456/4885SMN1; SMN2 864/4885

“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.