SCHEMBL4492576

SCHEMBL4492576

CC1(c2ccccc2)OC(=O)C(C(c2ccccc2)c2[nH]c3cc(F)ccc3c2CCCC(N)=O)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.33
GPR17 Q13304 2/20 0.33
SLC6A4 P31645 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP19A1 P11511 4/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAP2 P11137 1/20 0.32
EGFR P00533 3/20 0.31
SRC P12931 1/20 0.31
CDK2 P24941 1/20 0.31
OPRM1 P35372 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL4492579 0.87 MTNR1A (0.48) MTNR1AMTNR1BMEN1KMT2ACYP3A4
SCHEMBL4493727 0.79 OPRM1 (0.40) MEN1KMT2AMAP2OPRM1OGFRL1
SCHEMBL4493732 0.79 OPRM1 (0.40) MEN1KMT2AMAP2OPRM1OGFRL1
SCHEMBL4492136 0.77 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFR
SCHEMBL4492145 0.77 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFR
SCHEMBL4510087 0.77 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1EGFR
SCHEMBL4504558 0.75 MLKL (0.41) MEN1KMT2ACYP19A1
SCHEMBL4504554 0.75 MLKL (0.41) MEN1KMT2ACYP19A1
SCHEMBL4507171 0.73 MDM2 (0.34) GPR17MTNR1AMTNR1B
SCHEMBL4501329 0.72 DAO (0.39) MTNR1AMTNR1BMEN1KMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US claimed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US claimed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 MPO 1073/4885GPR17 1037/4885SLC6A4 2994/4885

“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.