SCHEMBL12004403

SCHEMBL12004403

[O]CC=CN1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
TSHR P16473 2/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
LMNA P02545 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
APEX1 P27695 2/20 0.33

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
SCHEMBL12004402 1.00 PIK3CD (0.38) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL12004405 0.82 TSHR (0.40) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL6543603 0.82 PIK3CD (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL6860222 0.82 PIK3CD (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL11976728 0.82 PIK3CD (0.41) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7799656 0.79 PIK3CD (0.39) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL360777 0.79 PIK3CD (0.35) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7799654 0.79 PIK3CD (0.39) PIK3CDTSHRBRD4BRD2LMNA
SCHEMBL7109892 0.78
SCHEMBL13126834 0.77 PIK3CD (0.38) PIK3CDTSHRBRD4BRD2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 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-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PIK3CD 2145/4885TSHR 446/4885BRD4 372/4885

“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.