SCHEMBL12697239

SCHEMBL12697239

Cc1ccc(OC(C)C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
TRPA1 O75762 2/20 0.50
LMNA P02545 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX12 P18054 2/20 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
SCHEMBL28146640 0.83 TRPA1 (0.48) IDO1TDO2TRPA1LMNACHRM1
SCHEMBL14121796 0.82 ALDH1A1 (0.51) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19433124 0.81 CA12 (0.47) ALOX15ALOX12CA1CA2CA9
SCHEMBL12313570 0.80 ACHE (0.50) IDO1TDO2LMNAACHEFFAR1
SCHEMBL4962026 0.79 ALDH1A1 (0.48) ALDH1A1POLBHPGDKMT2ARORC
SCHEMBL8280908 0.78 FFAR4 (0.43) IDO1TDO2HTR2BTP53TDP1
SCHEMBL10292484 0.78 TRPA1 (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2975257 0.78 TSHR (0.47) TDP1ALOX15ALDH1A1MAPTPOLB
SCHEMBL12695025 0.78 TRPA1 (0.53) TRPA1LMNATP53TDP1ALOX15
SCHEMBL2851014 0.78 ALOX15 (0.37) IDO1TDO2ALOX15MAPTALOX12

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-11802114-B2 Compounds and methods for detection of superoxide PROMEGA CORPORATION (US) 2023-10-31 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 IDO1 3309/4885TDO2 4672/4885TRPA1 16/4885
US-11802114-B2 Compounds and methods for detection of superoxide SOD1, GPX4, SOD3 IDO1 2462/4885TDO2 705/4885TRPA1 2376/4885

“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.