SCHEMBL9946125

SCHEMBL9946125

CC1(C)OC(c2c(F)cc(C=O)cc2F)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4547667 0.69 HDAC1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL28403663 0.68 CYP2A6 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL3853216 0.68 SIRT1 (0.31) —
SCHEMBL14724654 0.68 ERN1 (0.33) —
SCHEMBL12077653 0.68 LPL (0.36) ALDH1A1SMN1; SMN2
SCHEMBL26817468 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL16018872 0.66 — —
SCHEMBL12594000 0.65 TUBB1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL48658 0.64 CES2 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL31085187 0.63 TSHR (0.39) ALDH1A1SMN1; SMN2

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 — — 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885SMN1; SMN2 3273/4885

“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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