SCHEMBL25536198

SCHEMBL25536198

CC(C)(C)c1ccc2c(ccc[n+]2O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ ACHE P22303 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN10A Q9Y5Y9 6/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33

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
SCHEMBL264755 0.79 ATM (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19143244 0.73 CYP1A2 (0.46) ALDH1A1ALOX15HSD17B10TDP1MEN1
SCHEMBL22293397 0.71 UGT2B7 (0.43) ALDH1A1HPGDALOX15TDP1MEN1
SCHEMBL3861730 0.69 ACHE (0.46) ACHE
SCHEMBL17229203 0.69 ACHE (0.42) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15828574 0.68 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL599567 0.68 PTPN1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30222062 0.68 PTPN1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL348347 0.66 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30010382 0.66 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1

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-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

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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885ALOX15 214/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885ALOX15 214/4885

“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.

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