SCHEMBL14597245

SCHEMBL14597245

CN(C)c1cc(C(C)(C)c2ccc(O)c(N(C)C)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.57
▸ KLF10 Q13118 1/20 0.50
▸ ALOX15 P16050 4/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ APP P05067 3/20 0.46
▸ RORC P51449 1/20 0.46
▸ ESR2 Q92731 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ AR P10275 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ ESRRG P62508 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CACNA1B Q00975 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
SCHEMBL6644245 0.88 ALDH1A1 (0.59) ESR1ALOX15APPALDH1A1HPGD
SCHEMBL13320847 0.81 ESR1 (0.46) ESR1KLF10ALOX15APPRORC
SCHEMBL1501111 0.75 ALDH1A1 (0.73) ESR1KLF10ALOX15ALOX12APP
SCHEMBL29360146 0.73 ESR1 (1.00) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL9079910 0.73 ALDH1A1 (0.61) ESR1ALOX15APPALDH1A1HPGD
SCHEMBL5674836 0.73 ALDH1A1 (0.70) ESR1KLF10ALOX15ALOX12APP
SCHEMBL29350788 0.73 ESR1 (1.00) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL35285 0.73 ESR1 (1.00) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL636392 0.71 TRPA1 (0.54) ESR1ALOX15ALOX12APPALDH1A1
SCHEMBL31158047 0.71 TRPA1 (0.54) ESR1ALOX15ALOX12APPALDH1A1

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-20070021496-A1 Methods and compositions for diagnosing and treating arthritic disorders and regulating bone mass MIGENIX CORP. (US) 2007-01-25 — — US disclosed
US-20070021496-A1 Methods and compositions for diagnosing and treating arthritic disorders and regulating bone mass MIGENIX CORP. (US) 2007-01-25 — — 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-20070021496-A1 Methods and compositions for diagnosing and treating arthritic disorders and regulating bone mass CKMT1A; CKMT1B, ATP5F1D, MT-ATP6 ESR1 4115/4885KLF10 3331/4885ALOX15 1724/4885

“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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