SCHEMBL22888342

SCHEMBL22888342

CC(C)c1ccc(O)c(-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
TRPA1 O75762 1/20 0.48
CACNA1C Q13936 1/20 0.48
PTPN5 P54829 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2D6 P10635 1/20 0.45
RNASEH1 O60930 1/20 0.44
LMNA P02545 1/20 0.41
TYR P14679 2/20 0.40
RXRA P19793 1/20 0.40
NR4A2 P43354 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR35 Q9HC97 1/20 0.39
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7435559 0.89 TRPA1 (0.55) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL25906319 0.84 TRPA1 (0.55) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL4282140 0.81 PTPN5 (0.57) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL8855072 0.81 GABRA1 (0.47) PTGS1TRPA1CACNA1CRNASEH1TYR
SCHEMBL11651790 0.80 TRPA1 (0.64) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL27675692 0.80 LMNA (0.42) PTGS1TRPA1CACNA1CLMNAPTGS2
SCHEMBL14252297 0.79 TYR (0.48) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL24593953 0.79 IDO1 (0.42) PTPN5ALDH1A1HIF1ACYP2D6LMNA
SCHEMBL14877648 0.79 TRPA1 (0.48) PTGS1TRPA1CACNA1CPTPN5ALDH1A1
SCHEMBL9743853 0.78 IDO1 (0.55) PTGS1ALDH1A1ALOX12HIF1ACYP2D6

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 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-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC PTGS1 1090/4885TRPA1 4291/4885CACNA1C 2116/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC PTGS1 1090/4885TRPA1 4291/4885CACNA1C 2116/4885

“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.