SCHEMBL23297233

SCHEMBL23297233

O=C1CCC(=O)N1C1(C(=O)O)CCC(C(F)(F)F)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL38651084 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL29310752 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28963242 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10635589 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL29176333 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16875634 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL31121930 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28551883 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2368119 0.70 PTGS1 (0.34) ALDH1A1
SCHEMBL15969015 0.69 PSEN1 (0.31)

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-11667621-B2 Antiestrogen compounds STEVENS INSTITUTE OF TECHNOLOGY (US) 2023-06-06 US disclosed
US-20210130320-A1 ANTIESTROGEN COMPOUNDS STEVENS INSTITUTE OF TECHNOLOGY (US) 2021-05-06 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-11667621-B2 Antiestrogen compounds ESR1, ESR2, ESRRG ALDH1A1 4268/4885
US-20210130320-A1 ANTIESTROGEN COMPOUNDS ESR1, ESR2, ESRRG ALDH1A1 4268/4885

“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.