SCHEMBL22701030

SCHEMBL22701030

C=CCOc1cc(C)cc(CC=C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
KAT6A Q92794 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA9 Q16790 5/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3595767 0.85 ALDH1A1 (0.41) ALDH1A1TP53SMN1; SMN2CYP3A4ALOX15
SCHEMBL4877716 0.84 KAT6A (0.36) ALDH1A1TP53SMN1; SMN2KAT6ACA12
SCHEMBL4880814 0.84 KAT6A (0.41) ALDH1A1TP53SMN1; SMN2ALOX15KAT6A
SCHEMBL12559946 0.81 ALDH1A1 (0.55) ALDH1A1TP53SMN1; SMN2CYP3A4ALOX15
SCHEMBL1553874 0.78 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2CYP3A4ALOX15
SCHEMBL14201394 0.76 KAT6A (0.43) ALDH1A1SMN1; SMN2KAT6ACA12CA1
SCHEMBL3963684 0.76 KAT6A (0.45) ALDH1A1TP53SMN1; SMN2KAT6AGAA
SCHEMBL17204539 0.76 GAA (0.40) ALDH1A1SMN1; SMN2KAT6ACA12CA1
SCHEMBL8385349 0.76 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2CYP3A4KAT6A
SCHEMBL12658254 0.76 MAPT (0.38) ALDH1A1SMN1; SMN2TSHRKAT6ACA12

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 ALDH1A1 81/4885TP53 3602/4885SMN1; SMN2 4687/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 ALDH1A1 81/4885TP53 3602/4885SMN1; SMN2 4687/4885

“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.