SCHEMBL14997693

SCHEMBL14997693

CSc1ccccc1C#Cc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
GRM5 P41594 5/20 0.43
FFAR1 O14842 7/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 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
SCHEMBL14998080 0.89 ALDH1A1 (0.35) TSHRGRM5CHRM2LMNAMAPT
SCHEMBL29700306 0.89 ALDH1A1 (0.35) TSHRGRM5CHRM2LMNAMAPT
SCHEMBL3644208 0.82 TSHR (0.62) TSHRGRM5FFAR1FFAR4CHRM2
SCHEMBL30666154 0.82 TSHR (0.62) TSHRGRM5FFAR1FFAR4CHRM2
SCHEMBL28355913 0.79 NPC1 (0.50) GRM5LMNAMAPTALDH1A1
SCHEMBL28501966 0.79 CA12 (0.50) GRM5FFAR1FFAR4CHRM2S1PR1
SCHEMBL28519334 0.78 GRM5 (0.44) GRM5ACHEMAPTIKBKB
SCHEMBL28513829 0.78 GRM5 (0.50) TSHRGRM5FFAR1LMNAMAPT
SCHEMBL27165230 0.78 IDO1 (0.33) ALDH1A1
SCHEMBL27165258 0.78 FFAR1 (0.37) FFAR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110656346-B Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2021-02-02 CN claimed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN claimed
CN-110656346-B Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2021-02-02 CN disclosed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 TSHR 4364/4885GRM5 2053/4885FFAR1 4642/4885

“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.