SCHEMBL5773388

SCHEMBL5773388

CCOC(=O)c1cnoc1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.48
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KDM4E B2RXH2 4/20 0.43
CYP2C19 P33261 3/20 0.43
GAA P10253 3/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
IDO1 P14902 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 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
SCHEMBL343836 0.89 HTT (0.50) TARBP2ALDH1A1RAB9ATSHRNPC1
SCHEMBL10668171 0.89 SMN1; SMN2 (0.52) TARBP2ALDH1A1RAB9ANPC1LMNA
SCHEMBL11384351 0.89 ALDH1A1 (0.48) ALDH1A1RAB9ATSHRNPC1LMNA
SCHEMBL5771735 0.89 ALDH1A1 (0.50) TARBP2ALDH1A1RAB9ATSHRNPC1
SCHEMBL6502372 0.88 TSHR (0.53) ALDH1A1RAB9ATSHRNPC1LMNA
SCHEMBL5776864 0.87 GAA (0.51) TARBP2ALDH1A1RAB9ANPC1LMNA
SCHEMBL5774574 0.86 ALDH1A1 (0.43) ALDH1A1TSHRLMNAKDM4ECYP2C19
SCHEMBL21172100 0.85 CYP11B1 (0.44) ALDH1A1TSHRLMNAKDM4ECYP2C19
SCHEMBL5772913 0.85 MAPT (0.49) ALDH1A1RAB9ANPC1LMNAKDM4E
SCHEMBL14564448 0.85 ALDH1A1 (0.56) ALDH1A1RAB9ATSHRNPC1LMNA

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 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 (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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR TARBP2 4614/4885ALDH1A1 1045/4885RAB9A 3076/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TARBP2 4756/4885ALDH1A1 682/4885RAB9A 3507/4885

“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.