SCHEMBL31536088

SCHEMBL31536088

CC1=CCC[C@H]2[C@](C)(Cc3c(O)ccc(O)c3O)[C@@H](C)CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.68
PTGS2 P35354 3/20 0.68
CETP P11597 1/20 0.68
IGF1R P08069 2/20 0.56
SRC P12931 2/20 0.56
AXL P30530 2/20 0.56
KDR P35968 2/20 0.56
PTK2 Q05397 2/20 0.56
ALK Q9UM73 2/20 0.56
NUAK1 O60285 1/20 0.56
MET P08581 1/20 0.56
PIM1 P11309 1/20 0.56
AKT1 P31749 1/20 0.56
NEK2 P51955 1/20 0.56
PLK1 P53350 1/20 0.56
AURKB Q96GD4 1/20 0.56
NEK6 Q9HC98 1/20 0.56
PTPN6 P29350 3/20 0.51
ACLY P53396 3/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL29441248 0.82 PTPN1 (0.71) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL31517137 0.81 PTPN1 (1.00) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL21397196 0.81 PTPN1 (1.00) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL186460 0.81 PTPN1 (1.00) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL10402772 0.81 PTPN1 (1.00) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL9477102 0.80 PTPN1 (0.98) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL9477704 0.78 PTPN1 (0.94) PTPN1PTGS2CETPIGF1RSRC
SCHEMBL3680453 0.78 PTGS2 (0.63) PTPN1PTGS2CETPIGF1RSRC
SCHEMBL31536047 0.75 PTPN1 (1.00) PTPN1PTGS2CETPIGF1RSRC
Avarol SCHEMBL9478364 0.72 PTPN1 (0.80) PTPN1PTGS2CETPIGF1RSRC

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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 US claimed
US-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 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 (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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION HSF1, HSPA2, KEAP1 PTPN1 3982/4885PTGS2 267/4885CETP 4053/4885

“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.