SCHEMBL851121

SCHEMBL851121

CO/C=C/C1CCC(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
HPGD P15428 1/20 0.43
FKBP1A P62942 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CPB1 P15086 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL851122 1.00 TSHR (0.44) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL13553357 1.00 TSHR (0.44) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL280126 0.83 FABP7 (0.58) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL6666657 0.83 FABP7 (0.58) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL10917021 0.83 FABP7 (0.58) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL13553576 0.83 ALDH1A1 (0.45) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL13553577 0.83 ALDH1A1 (0.45) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL849092 0.83 ALDH1A1 (0.45) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL849093 0.83 ALDH1A1 (0.45) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL1723426 0.82 ALDH1A1 (0.49) TSHRALDH1A1GAAFABP7FABP5

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 10 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 914/4885ALDH1A1 836/4885GAA 4027/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885ALDH1A1 836/4885GAA 4027/4885

“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.