SCHEMBL879944

SCHEMBL879944

CCCCOC(=O)c1ccc(OCCC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
ESR1 P03372 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPK1 P28482 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 3/20 0.57
STS P08842 7/20 0.55
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9308392 0.88 TSHR (0.74) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL15344615 0.85 TSHR (0.70) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL1983431 0.84 TDP1 (0.57) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL9016851 0.83 NPC1 (0.71) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL11345412 0.83 NPC1 (0.71) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL5709874 0.83 NPC1 (0.71) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL8076659 0.83 NPC1 (0.71) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL28810185 0.83 TSHR (0.67) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL927098 0.82 MAPT (0.72) LMNASMN1; SMN2MAPTNPC1RAB9A
Ammonia Solution, Strong SCHEMBL28289284 0.82 NPC1 (0.69) TSHRLMNACYP1A2CYP2C19ESR1

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 7 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
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP 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 TSHR 914/4885LMNA 2006/4885CYP1A2 944/4885

“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.