SCHEMBL23823918

SCHEMBL23823918

COc1ccc(CC(C)C)cc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
HIF1A Q16665 1/20 0.50
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
LDHA P00338 1/20 0.46
CASR P41180 1/20 0.46
FOS P01100 1/20 0.44
TTR P02766 1/20 0.44
JUN P05412 1/20 0.44
NR3C1 P04150 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL2429234 0.88 CASR (0.50) CDC25ACDC25BHIF1AALOX15ALOX12
SCHEMBL2429236 0.88 CASR (0.50) CDC25ACDC25BHIF1AALOX15ALOX12
SCHEMBL2429128 0.88 CASR (0.50) CDC25ACDC25BHIF1AALOX15ALOX12
Ammonia Solution, Strong SCHEMBL2423119 0.87 CASR (0.49) CDC25ACDC25BHIF1AALOX15ALOX12
SCHEMBL24503566 0.84 TRPV4 (0.45) TRIM24ALOX15ALOX12LDHAFOS
SCHEMBL14368066 0.84 ADRA1D (0.56) TRIM24ALOX15ALOX12FOSTTR
SCHEMBL1807353 0.82 CDC25A (0.53) CDC25ACDC25BHIF1ALDHACASR
SCHEMBL1807355 0.82 CDC25A (0.53) CDC25ACDC25BHIF1ACASRTTR
SCHEMBL14097342 0.82 CDC25A (0.53) CDC25ACDC25BHIF1ACASRSMN1; SMN2
SCHEMBL1807376 0.81 CDC25A (0.52) CDC25ACDC25BHIF1ALDHACASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 US disclosed
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 TRIM24 4769/4885CDC25A 241/4885CDC25B 687/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 TRIM24 4769/4885CDC25A 241/4885CDC25B 687/4885

“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.