SCHEMBL6544922

SCHEMBL6544922

Cc1[c]c(C)c(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.42
TSHR P16473 7/20 0.42
HPGD P15428 6/20 0.42
CYP3A4 P08684 5/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 3/20 0.34
ALOX12 P18054 2/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
ESR2 Q92731 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
TTR P02766 1/20 0.31
SELL P14151 1/20 0.31

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
SCHEMBL3340604 0.74 CD44 (0.35) CYP3A4ALOX15CHRM1MAOATBXA2R
SCHEMBL16051567 0.70
SCHEMBL6544193 0.70 SELL (0.36) HSD17B10CYP3A4ADRA1ASELLSELP
SCHEMBL10953282 0.67 CD44 (0.33) CYP3A4
SCHEMBL28212398 0.65
SCHEMBL16858712 0.65 RAPGEF4 (0.34)
SCHEMBL8351711 0.65 HSD17B10 (0.55) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL2662863 0.65 LMNA (0.60) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL27813403 0.65
SCHEMBL70334 0.65 HSD17B10 (0.73) HSD17B10TSHRHPGDCYP3A4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 HSD17B10 117/4885TSHR 790/4885HPGD 286/4885

“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.