SCHEMBL1470873

SCHEMBL1470873

CC(C)OC(=O)CCc1ccccc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.46
TSHR P16473 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ACHE P22303 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PTGDR Q13258 1/20 0.42
MAPT P10636 2/20 0.41
AKR1C3 P42330 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL18504822 0.84 TSHR (0.57) FFAR4TSHRIRAK4ALDH1A1KDM4E
SCHEMBL8023122 0.84 FFAR4 (0.61) FFAR4IRAK4ALDH1A1KDM4ETAS1R3
SCHEMBL1404966 0.84 ALDH1A1 (0.51) FFAR4TSHRIRAK4ALDH1A1KDM4E
SCHEMBL30365107 0.84 ALDH1A1 (0.51) FFAR4TSHRIRAK4ALDH1A1KDM4E
SCHEMBL1470891 0.83 IRAK4 (0.54) FFAR4TSHRIRAK4ALDH1A1KDM4E
SCHEMBL18879981 0.81 TSHR (0.41) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14360117 0.81 TSHR (0.49) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30410323 0.81 TSHR (0.49) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27613400 0.79 ALDH1A1 (0.48) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21647725 0.79 ADRB2 (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 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 (3 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 FFAR4 325/4885TSHR 1678/4885IRAK4 575/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 FFAR4 325/4885TSHR 1678/4885IRAK4 575/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN FFAR4 2997/4885TSHR 1002/4885IRAK4 602/4885

“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.