SCHEMBL13481990

SCHEMBL13481990

CCC1(CC)CC(=O)c2c(O)cc(O)cc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
PTPN1 P18031 3/20 0.59
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 4/20 0.40
CYP3A4 P08684 3/20 0.40
TTR P02766 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL1146705 0.80 ALDH1A1 (1.00) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL28606279 0.78 PTPN1 (0.41) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL4508215 0.76 ALDH1A1 (0.67) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL3029269 0.76 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL28604134 0.75 ALDH1A1 (0.39) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL4508936 0.74 ALDH1A1 (0.63) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL11110017 0.74 ALDH1A1 (0.63) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL9444249 0.73 ALDH1A1 (0.61) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL15545294 0.73 ALDH1A1 (0.61) ALDH1A1PTPN1RAB9ANPC1LMNA
SCHEMBL30593801 0.72 ALDH1A1 (0.65) ALDH1A1PTPN1RAB9ANPC1LMNA

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-20100028278-A1 USE OF CHROMAN-4-ONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-02-04 US disclosed
US-20100028278-A1 USE OF CHROMAN-4-ONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-02-04 US disclosed
WO-2008113450-A2 USE OF CHROMAN-4-ON-DERIVATIVES MERCK PATENT GMBH (DE) 2008-09-25 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-20100028278-A1 USE OF CHROMAN-4-ONE DERIVATIVES COXFA4L2, TYR, XPA ALDH1A1 270/4885PTPN1 1766/4885RAB9A 4407/4885

“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.