SCHEMBL31610902

SCHEMBL31610902

CC(C)(C)CC(=O)c1ccc(O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.65
▸ ESR1 P03372 1/20 0.56
▸ SHBG P04278 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ HTT P42858 2/20 0.56
▸ CES2 O00748 1/20 0.53
▸ CA12 O43570 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA7 P43166 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PDK2 Q15119 2/20 0.50
▸ PDK4 Q16654 2/20 0.50

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
SCHEMBL12231323 1.00 HSP90AB1 (0.65) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL481085 0.79 HSP90AB1 (1.00) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL29457585 0.79 HSP90AB1 (1.00) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL4706474 0.79 HSP90AB1 (1.00) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL105417 0.78 HSP90AB1 (0.70) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL7549549 0.78 HSP90AB1 (0.70) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL6427459 0.78 HSP90AB1 (0.70) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL10880424 0.77 HSP90AB1 (0.54) HSP90AB1ESR1SHBGESR2HTT
SCHEMBL28049448 0.77 HSP90AB1 (0.96) HSP90AB1ESR1SHBGESR2HTT
Water SCHEMBL1231468 0.76 HSP90AB1 (0.68) HSP90AB1ESR1SHBGESR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-06-05 — — 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 (1 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-20250179000-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS (PAMS) AND USES THEREOF GRM3, GRM2, GRM1 HSP90AB1 3531/4885ESR1 267/4885SHBG 2336/4885

“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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