SCHEMBL17686382

SCHEMBL17686382

CCOC(=O)CC1(C(C)(C)C)CCC(C)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL2239745 0.81 THRB (0.32) KDM4EGAAL3MBTL1
SCHEMBL29241167 0.69 CYP2C9 (0.33) CYP2C9CYP2C19
SCHEMBL1119711 0.66 CYP2C9 (0.31) CYP2C9CYP2C19
SCHEMBL28527648 0.66 CYP3A4 (0.32) CYP3A4
SCHEMBL28525796 0.66 CYP3A4 (0.32) CYP3A4
SCHEMBL5909667 0.65 CYP1A2 (0.59) KDM4EALDH1A1GAALMNACYP1A2
SCHEMBL79594 0.65 CYP3A4 (0.33) CYP3A4
SCHEMBL28498943 0.65 KMT2A (0.32) KDM4EALDH1A1GAALMNACYP1A2
SCHEMBL2079080 0.64 MMP2 (0.30)
SCHEMBL27497690 0.64 KDM4E (0.45) KDM4EALDH1A1GAALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 KDM4E 1988/4885ALDH1A1 724/4885GAA 565/4885

“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.