SCHEMBL22458652

SCHEMBL22458652

CC(C)(CCO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
KIF11 P52732 1/20 0.40
MGLL Q99685 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL5777587 0.83 SMN1; SMN2 (0.39)
SCHEMBL31556506 0.82 CES2 (0.43) CES2CES1ORAI1ORAI2ORAI3
SCHEMBL1350898 0.81 TNKS (0.40) CES2CES1ORAI1ORAI2ORAI3
SCHEMBL13571355 0.80 TSHR (0.48) KIF11
SCHEMBL27780544 0.80 SHBG (0.59)
SCHEMBL19557869 0.80 TRPV1 (0.46) KIF11
SCHEMBL19987501 0.80 CNR2 (0.42) KIF11
SCHEMBL873051 0.77 TAAR1 (0.54)
SCHEMBL17223947 0.77 CNR2 (0.49)
Ammonia Solution, Strong SCHEMBL28211119 0.76 TAAR1 (0.52)

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-11214540-B2 Compositions for treating neurodegenerative diseases COGNITION THERAPEUTICS, INC. (US) 2022-01-04 US disclosed
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COGNITION THERAPEUTICS, INC. (US) 2020-09-24 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-11214540-B2 Compositions for treating neurodegenerative diseases NLN, GAP43, PSEN2 CES2 2819/4885CES1 3329/4885ORAI1 2952/4885
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES GAP43, NLN, SNAP29 CES2 2337/4885CES1 2969/4885ORAI1 2393/4885

“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.