SCHEMBL20495361

SCHEMBL20495361

C=CCC1(CO)C(=O)N(C(=O)O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
POLB P06746 1/20 0.43
PGR P06401 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL29542537 0.82 BCHE (0.42) ALDH1A1POLBPGRHTTTSHR
SCHEMBL28357629 0.77 HTT (0.46) ALDH1A1PGRHTTHSD17B10GAA
SCHEMBL31220071 0.73 ALDH1A1 (0.41) ALDH1A1HTTHSD17B10MAPTKMT2A
SCHEMBL19211064 0.69 TP53 (0.34) ALDH1A1HTTKDM4EPKM
SCHEMBL25180710 0.68 HSD17B10 (0.45) ALDH1A1PGRHTTTSHRHSD17B10
SCHEMBL2126710 0.68 MAPT (0.37) ALDH1A1HPGDMAPTKMT2AKDM4E
SCHEMBL25310976 0.67 EGLN1 (0.48) ALDH1A1HTTHSD17B10GAAKDM4E
SCHEMBL20495542 0.67 PDK2 (0.42) ALDH1A1HSD17B10HPGDMAPTKMT2A
SCHEMBL29092419 0.65 HSD17B10 (0.39) ALDH1A1POLBHTTHSD17B10MAPT
SCHEMBL13233714 0.65 HSD17B10 (0.56) ALDH1A1POLBPGRHTTHSD17B10

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-20210284650-A1 SPIROOXINDOLE COMPOUNDS AS GSK3B INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2021-09-16 US disclosed
WO-2018163216-A1 SPIROOXINDOLE COMPOUNDS AS GSK3Β INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-09-13 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 (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-20210284650-A1 SPIROOXINDOLE COMPOUNDS AS GSK3B INHIBITORS AND PROCESS FOR PREPARATION THEREOF GSK3B, GSK3A, GSKIP ALDH1A1 887/4885POLB 585/4885PGR 2519/4885

“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.