SCHEMBL21246894

SCHEMBL21246894

Clc1ccc(C#CC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.41
KCNH2 Q12809 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
GRM5 P41594 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL9495791 0.90 FFAR1 (0.41) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL9495798 0.90 FFAR1 (0.41) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL21722912 0.86 HTR3A (0.42) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL9498077 0.86 FFAR1 (0.42) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL9498083 0.86 FFAR1 (0.42) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL9500523 0.83 FFAR1 (0.40) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL9500527 0.83 FFAR1 (0.40) FFAR1FFAR4KCNH2SLC6A2SLC6A4
SCHEMBL9245095 0.82 FFAR1 (0.36) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL9245091 0.82 FFAR1 (0.36) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL9498796 0.80 KCNH2 (0.39) FFAR1FFAR4KCNH2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019153373-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE 苏州大学张家港工业技术研究院 2019-08-15 WO claimed
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative SOOCHOW UNIVERSITY (CN) 2021-02-23 US disclosed
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative SOOCHOW UNIVERSITY (CN) 2021-02-23 US disclosed
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-02-11 US disclosed
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-02-11 US disclosed
CN-108395423-B Synthesis method of 2-benzylidene tetrahydrothiophene derivative 苏州大学 2020-05-15 CN disclosed
WO-2019153373-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE 苏州大学张家港工业技术研究院 2019-08-15 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-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative CBR3, TST, C5 FFAR1 4299/4885FFAR4 4130/4885KCNH2 301/4885
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE CBR3, TST, C5 FFAR1 4299/4885FFAR4 4130/4885KCNH2 301/4885

“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.