SCHEMBL4267671

SCHEMBL4267671

CCCCCCCCC#Cc1c(F)ccc(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
PTPN7 P35236 4/20 0.40
HMGCR P04035 2/20 0.40
PPARA Q07869 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2833710 0.72 FFAR1 (0.35) RARBFFAR1FFAR4RARARARG
SCHEMBL2831444 0.72 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12
SCHEMBL5669455 0.72 KDM4E (0.44) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL2833910 0.70 RARB (0.44) RARBFFAR1FFAR4RARARARG
SCHEMBL6939655 0.70 RARB (0.50) RARBFFAR1FFAR4MMP2MMP12
SCHEMBL22748696 0.70 GPR84 (0.54) RARBFFAR1FFAR4RARARARG
SCHEMBL22748622 0.70 GPR84 (0.54) RARBFFAR1FFAR4RARARARG
SCHEMBL22748304 0.70 GPR84 (0.54) RARBFFAR1FFAR4RARARARG
SCHEMBL22748441 0.70 GPR84 (0.54) RARBFFAR1FFAR4RARARARG
SCHEMBL22749066 0.70 GPR84 (0.54) RARBFFAR1FFAR4RARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735630-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-27 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-07-11 US disclosed
US-8378145-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-19 US disclosed
US-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-19 US disclosed
US-7560596-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
US-7560596-B2 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
EP-1833605-A2 TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS Massachusetts Institute of Technology (US) 2007-09-19 EP disclosed
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-08-03 US disclosed
WO-2006074315-A2 TRANSITION-METAL-CATALYZED CARBON-NITROGEN AND CARBON-CARBON BOND-FORMING REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-07-13 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 (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-20090287016-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 RARB 4635/4885FFAR1 4192/4885FFAR4 4602/4885
US-20060173186-A1 Transition-metal-catalyzed carbon-nitrogen and carbon-carbon bond-forming reactions NBAS, APEX1, CBR3 RARB 4635/4885FFAR1 4192/4885FFAR4 4602/4885
US-20130178632-A1 Transition-Metal-Catalyzed Carbon-Nitrogen and Carbon-Carbon Bond-Forming Reactions NBAS, APEX1, CBR3 RARB 4635/4885FFAR1 4192/4885FFAR4 4602/4885

“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.