SCHEMBL24656012

SCHEMBL24656012

CC(C)(C)c1cc(F)cc2ccoc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A13 Q16696 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32

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
SCHEMBL25532204 0.81 TRPA1 (0.32) TRPA1
SCHEMBL5988546 0.81 TRPA1 (0.32) TRPA1MAOA
SCHEMBL19499087 0.81 LMNA (0.36) CYP1A2CYP3A4CYP2D6CYP2A6TSHR
SCHEMBL25526813 0.81 SMN1; SMN2 (0.42) CYP1A2CYP3A4CYP2D6CYP2A6TSHR
Hydrochloric Acid SCHEMBL5987240 0.80 TRPA1 (0.31) TRPA1MAOA
SCHEMBL5988062 0.79 SLC22A12 (0.35) TRPA1CYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL15180071 0.77 CA1 (0.47) CYP1A2CYP3A4CYP2D6CYP2A6TSHR
SCHEMBL806494 0.74 TRPA1 (0.38) TRPA1CYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL5986530 0.73 CNR2 (0.41) CYP1A2CYP3A4TSHRALDH1A1KDM4E
SCHEMBL6305147 0.73 KCNN4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1604/4885CYP1A2 540/4885CYP3A4 1414/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1604/4885CYP1A2 540/4885CYP3A4 1414/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TRPA1 1604/4885CYP1A2 540/4885CYP3A4 1414/4885

“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.