SCHEMBL3727775

SCHEMBL3727775

CC(C)COc1ccc(Cl)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
TBXA2R P21731 2/20 0.49
LMNA P02545 2/20 0.49
TTR P02766 2/20 0.49
NR1I2 O75469 1/20 0.49
PGR P06401 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 1/20 0.49
HSPA5 P11021 1/20 0.49
HPGD P15428 1/20 0.49
CBR1 P16152 1/20 0.49
SLC6A2 P23975 1/20 0.49
AGTR1 P30556 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PTGER1 P34995 9/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.43
PTGER3 P43115 1/20 0.43

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
SCHEMBL9967704 0.81 KDM1A (0.56) KDM1ALMNAMAPTHPGDALDH1A1
SCHEMBL4957636 0.80 ALDH1A1 (0.47) LMNAMAPTHPGDSLC6A2ALDH1A1
SCHEMBL325648 0.80 SCN4A (0.60) KDM1ALMNAMAPTHPGDPTGER1
SCHEMBL4067016 0.79 KDM1A (0.51) KDM1ATBXA2RLMNAADORA3PTGER1
SCHEMBL4720675 0.79 MAPT (0.58) KDM1AMAPTPTGER1ALDH1A1GAA
SCHEMBL358044 0.79 KDM1A (0.57) KDM1ALMNAMAPTHPGDPTGER1
SCHEMBL4069141 0.79 KDM1A (0.54) KDM1ATBXA2RLMNAADORA3MAPT
SCHEMBL13347438 0.79 KDM1A (0.54) KDM1ALMNATTRMAPTHPGD
SCHEMBL13676822 0.79 KDM1A (0.54) KDM1ASLC6A2SLC6A3PTGER1ALDH1A1
SCHEMBL278545 0.79 KDM1A (0.54) KDM1ATBXA2RADORA3MAPTPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 KDM1A 1174/4885TBXA2R 438/4885LMNA 2761/4885

“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.