SCHEMBL21246857

SCHEMBL21246857

Clc1ccccc1C#CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
GRM5 P41594 5/20 0.40
PGK1 P00558 1/20 0.39
CHRNA7 P36544 2/20 0.38
RORC P51449 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
PTPN11 Q06124 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 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
SCHEMBL29490274 1.00 KCNH2 (0.43) KCNH2GRM5PGK1CHRNA7RORC
SCHEMBL11236538 0.92 GRM5 (0.46) KCNH2GRM5PGK1CHRNA7RORC
SCHEMBL11246729 0.90 GRM5 (0.49) KCNH2GRM5CHRNA7RORCCYP1A2
SCHEMBL9152622 0.90 GRM5 (0.49) KCNH2GRM5CHRNA7RORCCYP1A2
SCHEMBL31071600 0.87 KCNH2 (0.38) KCNH2GRM5CHRNA7
SCHEMBL21723366 0.87 KCNH2 (0.38) KCNH2GRM5CHRNA7
SCHEMBL21723007 0.82 KCNH2 (0.40) KCNH2GRM5CHRNA7RORCPTGDR2
SCHEMBL21722921 0.79 RAB9A (0.43) CHRNA7RORCPTGDR2LMNAFFAR1
SCHEMBL30707788 0.77 KCNH2 (0.61) KCNH2GRM5CYP1A2PTGDR2LMNA
SCHEMBL4448140 0.77 KCNH2 (0.61) KCNH2GRM5CYP1A2PTGDR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative SOOCHOW UNIVERSITY (CN) 2021-02-23 US claimed
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE SOOCHOW UNIVERSITY (CN) 2021-02-11 US claimed
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-20260132147-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIV (US) 2026-05-14 US disclosed
US-12479857-B2 Bax inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2025-11-25 US disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
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
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 WO 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
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 (5 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-20260132147-A1 BAX INHIBITORS AND USES THEREOF BAX, BCL2, BAK1 KCNH2 940/4885GRM5 4277/4885PGK1 3871/4885
US-10927093-B1 Method for synthesizing 2-benzylidene tetrahydrothiophene derivative CBR3, TST, C5 KCNH2 301/4885GRM5 3640/4885PGK1 3742/4885
US-20210040060-A1 METHOD FOR SYNTHESIZING 2-BENZYLIDENE TETRAHYDROTHIOPHENE DERIVATIVE CBR3, TST, C5 KCNH2 301/4885GRM5 3640/4885PGK1 3742/4885
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 KCNH2 4555/4885GRM5 4571/4885PGK1 1082/4885
US-12479857-B2 Bax inhibitors and uses thereof BAX, TMBIM6, BCL2 KCNH2 4555/4885GRM5 4571/4885PGK1 1082/4885

“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.