SCHEMBL22700997

SCHEMBL22700997

C=CCn1c(=O)n(CC=C)c2cc(-c3ccccc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.49
ALDH1A1 P00352 8/20 0.47
CYP3A4 P08684 1/20 0.46
ADORA2B P29275 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 3/20 0.43
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 4/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RCE1 Q9Y256 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL29507760 0.81 CYP3A4 (0.62) ALDH1A1CYP3A4KMT2ASMN1; SMN2KDM4E
SCHEMBL6695468 0.81 CYP3A4 (0.62) ALDH1A1CYP3A4KMT2ASMN1; SMN2KDM4E
SCHEMBL27835412 0.77 CYP3A4 (0.52) ALDH1A1CYP3A4ADORA2BKMT2ASMN1; SMN2
SCHEMBL22700980 0.76 KMT2A (0.62) ALDH1A1CYP3A4ADORA2BKMT2ASMN1; SMN2
SCHEMBL474533 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2ASMN1; SMN2KDM4E
SCHEMBL22700961 0.74 GRM2 (0.51) GRM2ADORA2BMAPK14BRD4
SCHEMBL5837596 0.72 MAPK14 (0.52) ALDH1A1ADORA2BMAPK14KDM4EGAA
SCHEMBL4584939 0.69 CYP3A4 (0.61) ALDH1A1CYP3A4SMN1; SMN2KDM4EL3MBTL1
SCHEMBL2946378 0.69 CYP3A4 (0.61) ALDH1A1CYP3A4SMN1; SMN2KDM4EL3MBTL1
SCHEMBL8523462 0.69 GAA (0.53) ALDH1A1CYP3A4ADORA2BKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 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 (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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 GRM2 3715/4885ALDH1A1 81/4885CYP3A4 1859/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 GRM2 3715/4885ALDH1A1 81/4885CYP3A4 1859/4885

“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.