SCHEMBL4296355

SCHEMBL4296355

CC1(C)Cc2cc(O)cc(F)c2O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
FFAR4 Q5NUL3 7/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL22412614 0.83 AKT1 (0.58) AKT1LMNAPKM
SCHEMBL1895782 0.79 ALDH1A1 (0.36) AKT1FFAR4ALDH1A1MAPTHTR2A
SCHEMBL1893250 0.78 ALDH1A1 (0.36) AKT1FFAR4ALDH1A1MAPTHTR2A
Phenol SCHEMBL28710851 0.76 AKT1 (0.51) AKT1LMNAPKM
SCHEMBL4012294 0.73 FFAR4 (0.34) FFAR4ALDH1A1MAPTHTR2ALMNA
SCHEMBL4750485 0.71 HTR2A (0.51) AKT1FFAR4ALDH1A1HTR2ALMNA
SCHEMBL18536181 0.70 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ELMNAPKM
SCHEMBL2434714 0.70 FFAR4 (0.37) AKT1FFAR4ALDH1A1MAPTHTR2A
SCHEMBL23667871 0.69 SELL (0.37) AKT1ALDH1A1MAPTHTR2AKDM4E
SCHEMBL14564975 0.69 DHFR (0.43) FFAR4ALDH1A1MAPTHTR2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
CN-1044279-A 2,3-dihydro-benzofuran derivative weedicide and preparation method thereof MITSUI TOATSU CHEMICALS (JP) 1990-08-01 CN 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AKT1 1351/4885FFAR4 3121/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AKT1 1351/4885FFAR4 3121/4885ALDH1A1 388/4885

“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.