SCHEMBL9983073

SCHEMBL9983073

CC1(C)Cc2cc(I)cc(CCl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
DHFR P00374 2/20 0.36
FFAR4 Q5NUL3 9/20 0.36
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12035998 0.84 HTR2A (0.39) HTR2ADHFRFFAR4ALDH1A1KMT2A
SCHEMBL2431904 0.82 HTR2A (0.40) HTR2ADHFRFFAR4ALDH1A1KMT2A
SCHEMBL9983491 0.82 HTR2A (0.40) HTR2ADHFRFFAR4ALDH1A1MAPK1
SCHEMBL2439246 0.82 HTR2A (0.52) HTR2ADHFRFFAR4KMT2A
SCHEMBL2438230 0.81 HTR2A (0.39) HTR2ADHFRFFAR4
SCHEMBL9983545 0.79 DHFR (0.45) HTR2ADHFRFFAR4KMT2A
SCHEMBL12036052 0.78 HTR2A (0.37) HTR2ADHFRFFAR4KMT2A
SCHEMBL9983471 0.78 HTR2A (0.37) HTR2ADHFRFFAR4
SCHEMBL2430316 0.76 HTR2A (0.36) HTR2ADHFRFFAR4
SCHEMBL12036035 0.76 DHFR (0.38) HTR2ADHFRFFAR4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
EP-2582674-B1 GPR120 RECEPTOR AGONISTS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2014-10-01 EP disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
EP-2582674-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF Metabolex Inc. (US) 2013-04-24 EP disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 WO disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
WO-2011159297-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-22 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 (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-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HTR2A 261/4885DHFR 3953/4885FFAR4 25/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR HTR2A 261/4885DHFR 3953/4885FFAR4 25/4885

“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.