SCHEMBL879680

SCHEMBL879680

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.35
THRB P10828 6/20 0.35
NR1I2 O75469 1/20 0.34
ESR1 P03372 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
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
SCHEMBL10290604 0.88 ESR1 (0.35) THRATHRBNR1I2ESR1RARB
SCHEMBL10290777 0.87 ESR1 (0.34) THRATHRBNR1I2ESR1TDP1
SCHEMBL17215192 0.86 NR1I2 (0.34) THRATHRBNR1I2ESR1TDP1
SCHEMBL13552301 0.83 ALDH1A1 (0.36) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL13065129 0.82 TSHR (0.35) THRATHRBESR1TDP1MEN1
SCHEMBL879677 0.81 TSHR (0.39) RARBTSHRALDH1A1LMNAPOLB
SCHEMBL847326 0.79 ALDH1A1 (0.38) THRATHRBALDH1A1LMNASMN1; SMN2
SCHEMBL16302214 0.75 ESR1 (0.35) THRATHRBNR1I2ESR1TDP1
SCHEMBL10290846 0.74 TSHR (0.35) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL16302237 0.74 ESR1 (0.34) THRATHRBNR1I2ESR1TDP1

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 5 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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 THRA 1662/4885THRB 2001/4885NR1I2 223/4885

“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.