SCHEMBL879908

SCHEMBL879908

CCCCC=Cc1ccccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
TSHR P16473 8/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 3/20 0.43
PDE5A O76074 1/20 0.43
TP53 P04637 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9508795 0.94 CYSLTR2 (0.49) BACE1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL29141103 0.94 CYSLTR2 (0.49) BACE1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL9508803 0.94 CYSLTR2 (0.49) BACE1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL10900178 0.91 BACE1 (0.53) BACE1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL10900181 0.91 BACE1 (0.53) BACE1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL11213197 0.83 PDE5A (0.49) TSHRALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL11213193 0.83 PDE5A (0.49) TSHRALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL5813500 0.82 TSHR (0.45) TSHRALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL10371766 0.81 BACE1 (0.56) BACE1TSHRALDH1A1KMT2ALMNA
SCHEMBL10371764 0.81 BACE1 (0.56) BACE1TSHRALDH1A1KMT2ALMNA

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-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-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

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 BACE1 4166/4885TSHR 914/4885ALDH1A1 836/4885

“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.