SCHEMBL1109064

SCHEMBL1109064

CCOC(C)Cc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
PPARA Q07869 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SOAT1 P35610 1/20 0.37

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
SCHEMBL12664322 1.00 TSHR (0.42) TSHRTDP1GFERALDH1A1CYP3A4
SCHEMBL8384867 0.89 PPARA (0.43) MAOAPPARASLC6A2TAAR1SLC6A4
SCHEMBL2551815 0.82 PPARA (0.42) PPARATAAR1CYP2A6
SCHEMBL2700588 0.81 SIGMAR1 (0.52) MAOASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL24049214 0.80 PPARA (0.41) TSHRPPARATAAR1
SCHEMBL11511248 0.80 LMNA (0.32)
SCHEMBL2557004 0.80 SLC6A2 (0.53) MAOBPPARASLC6A2SLC6A4SLC6A3
SCHEMBL16390151 0.80 TSHR (0.42) TSHRTDP1GFERALDH1A1CYP3A4
SCHEMBL13457372 0.80 TAAR1 (0.53) PPARASLC6A2TAAR1SIGMAR1
SCHEMBL1840449 0.80 TAAR1 (0.53) PPARASLC6A2TAAR1SIGMAR1

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-8153841-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-04-10 US disclosed
US-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds REDDY'S LABORATORIES INC. 2011-05-05 US disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 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 (2 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-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds PCCA, ADRA1B, ADRA2B TSHR 3841/4885TDP1 3965/4885GFER 2968/4885
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field EGFR, ERBB3, FGFR3 TSHR 86/4885TDP1 4879/4885GFER 1857/4885

“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.