SCHEMBL6006032

SCHEMBL6006032

CC(C)C(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
TSHR P16473 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
FPR2 P25090 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
FDFT1 P37268 1/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL8621307 0.89 PNMT (0.53) PNMTTSHRSIGMAR1PPARGPPARA
SCHEMBL8623942 0.89 PNMT (0.53) PNMTTSHRSIGMAR1PPARGPPARA
SCHEMBL6003855 0.83 PNMT (0.58) PNMTTSHRSIGMAR1PPARGPPARA
SCHEMBL6005581 0.83 PNMT (0.58) PNMTTSHRSIGMAR1PPARGPPARA
SCHEMBL5130053 0.83 PNMT (0.58) PNMTTSHRSIGMAR1PPARGPPARA
SCHEMBL5811019 0.81 PNMT (0.49) PNMTTSHRMAOAMAOBFDFT1
SCHEMBL11551473 0.81 PPARG (0.51) TSHRPPARGPPARAAKR1C3AKR1C2
SCHEMBL4439324 0.80 PNMT (0.53) PNMTTSHRPPARGPPARAFPR2
SCHEMBL9781682 0.79 KMO (0.56) PNMTTSHRPPARGPPARAFPR2
SCHEMBL14114904 0.78 PSMB8 (0.45) TSHRPPARAAKR1C3AKR1C2

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PNMT 479/4885TSHR 2691/4885SIGMAR1 292/4885

“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.