SCHEMBL2833040

SCHEMBL2833040

CCCc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.58
FFAR4 Q5NUL3 2/20 0.58
APP P05067 1/20 0.52
ACACB O00763 2/20 0.49
MAPT P10636 1/20 0.46
CHRM2 P08172 1/20 0.46
S1PR1 P21453 1/20 0.46
FPR1 P21462 1/20 0.46
FPR3 P25089 1/20 0.46
GPR183 P32249 1/20 0.46
APLNR P35414 1/20 0.46
GPR65 Q8IYL9 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL9328434 0.91 ACACB (0.54) FFAR1FFAR4ACACB
SCHEMBL8141107 0.91 ACACB (0.54) FFAR1FFAR4ACACB
SCHEMBL28256625 0.91 FFAR1 (0.50) FFAR1FFAR4APPACACBMAPT
SCHEMBL28255909 0.90 CYP1A1 (0.53) FFAR1FFAR4ACACBMAPTCHRM2
SCHEMBL9511319 0.89 ACACB (0.53) FFAR1FFAR4ACACB
SCHEMBL1495032 0.88 FFAR1 (0.61) FFAR1FFAR4APPCHRM2S1PR1
SCHEMBL28255391 0.86 FFAR1 (0.48) FFAR1FFAR4ASIC3
SCHEMBL6046904 0.86 FFAR1 (0.59) FFAR1FFAR4APPCHRM2
SCHEMBL30785014 0.86 FFAR1 (0.59) FFAR1FFAR4APPCHRM2
SCHEMBL28839052 0.84 CYP2A6 (0.52) FFAR1FFAR4ACACB

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
CN-109422631-B Synthetic method of indanone compound 浙江工业大学 2021-10-15 CN disclosed
CN-109422634-B Synthetic method of 3-carbonyl indanone compound 浙江工业大学 2021-06-04 CN disclosed
CN-108822869-A A kind of liquid-crystal compounds containing chlorine and combinations thereof and high frequency assembly comprising it 西安近代化学研究所 2018-11-16 CN disclosed
CN-108753312-A A kind of liquid-crystal compounds, preparation method and the composition containing this compound and the high frequency assembly comprising this liquid crystal media 西安近代化学研究所 2018-11-06 CN disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-2066633-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-10 EP disclosed
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP disclosed
WO-2008030843-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 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 (1 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-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY S1PR4, S1PR3, S1PR1 FFAR1 23/4885FFAR4 13/4885APP 1870/4885

“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.