SCHEMBL10290604

SCHEMBL10290604

CCCCOCCN(C(C)=O)c1cc(C)c(Br)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
TSPO P30536 2/20 0.34
RARB P10826 2/20 0.34
TSHR P16473 1/20 0.34
THRA P10827 4/20 0.33
THRB P10828 4/20 0.33
RARA P10276 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1I2 O75469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL879680 0.88 THRA (0.35) ESR1RARBTSHRTHRATHRB
SCHEMBL10290777 0.88 ESR1 (0.34) ESR1RARBTSHRTHRATHRB
SCHEMBL16302214 0.86 ESR1 (0.35) ESR1TSPORARBTHRATHRB
SCHEMBL10290846 0.86 TSHR (0.35) TSPOTSHRLMNAALDH1A1
SCHEMBL850038 0.85 TSPO (0.41) TSPOTSHRLMNAALDH1A1
SCHEMBL13065129 0.83 TSHR (0.35) ESR1RARBTSHRTHRATHRB
SCHEMBL13552298 0.82 TSPO (0.37) TSPOTSHRLMNAALDH1A1
SCHEMBL879677 0.82 TSHR (0.39) RARBTSHRLMNAPOLBALDH1A1
SCHEMBL847882 0.81 TP53 (0.38) TSPOTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL849896 0.81 ALDH1A1 (0.34) TSPOTSHRLMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ESR1 2016/4885TSPO 2535/4885RARB 3269/4885

“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.