SCHEMBL27237045

SCHEMBL27237045

CC(C)(C)N(C(=O)O)C1(Nc2ccc(C#N)c(Cl)c2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.40
▸ ROCK2 O75116 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ SLC22A12 Q96S37 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ IDO1 P14902 1/20 0.37

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
SCHEMBL4677861 0.82 CETP (0.33) ARALDH1A1
SCHEMBL22769148 0.75 IDO1 (0.47) ARS1PR3SLC22A12ALDH1A1LMNA
SCHEMBL27236967 0.67 HDAC8 (0.46) ARSLC22A12ALDH1A1LMNAGAA
SCHEMBL16989778 0.67 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL18677445 0.66 IDO1 (0.51) ARROCK2SLC22A12ALDH1A1LMNA
SCHEMBL31053809 0.66 AR (0.58) ARIDO1
SCHEMBL2481947 0.66 AR (0.61) ARIDO1
SCHEMBL12050119 0.66 AR (0.58) ARIDO1
SCHEMBL16722682 0.66 IDO1 (0.60) ARS1PR3SLC22A12ALDH1A1LMNA
SCHEMBL16728601 0.65 ALDH1A1 (0.63) ARSLC22A12ALDH1A1LMNAGAA

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-12006314-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2024-06-11 — — 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 (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-12006314-B2 Anti-cancer nuclear hormone receptor-targeting compounds NR5A1, NCOA1, NR5A2 AR 4/4885ROCK2 4083/4885S1PR3 2696/4885

“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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