SCHEMBL4493012

SCHEMBL4493012

CCc1ccc2c(CCN)c(C(C3=C(O)C(c4ccccc4)OC3=O)c3ccccc3)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TOP1 P11387 2/20 0.33
TOP2A P11388 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 1/20 0.32
CYP19A1 P11511 2/20 0.32
DAO P14920 1/20 0.32
PTGES O14684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PTGS2 P35354 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
SCHEMBL1376601 0.83 KIF11 (0.33) KIF11ALDH1A1TOP1TOP2AHTR6
SCHEMBL4493625 0.76 MTNR1A (0.48) TDP1CYP19A1CYP2C9MTNR1AMTNR1B
SCHEMBL1376629 0.75 TOP1 (0.36) TOP1TOP2ACYP19A1MTNR1AMTNR1B
SCHEMBL4500628 0.72 MTNR1A (0.47) ALDH1A1TDP1CYP19A1CYP2C9MTNR1A
SCHEMBL4490559 0.68 CYP19A1 (0.42) TOP1TOP2AHTR6CYP19A1MTNR1A
SCHEMBL4501189 0.67 MAPT (0.43) KIF11ALDH1A1TDP1HTR6CYP19A1
SCHEMBL1379124 0.67 CYP19A1 (0.34) CYP19A1MTNR1AMTNR1B
SCHEMBL4502803 0.65 PARP1 (0.33) CYP19A1MTNR1AMTNR1B
SCHEMBL1376806 0.65 MTNR1A (0.47) ALDH1A1TDP1CYP2C9MTNR1AMTNR1B
SCHEMBL1379141 0.65 MTNR1A (0.47) TOP1TOP2ATDP1CYP19A1CYP2C9

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 9 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 disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
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
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
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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 KIF11 4053/4885ALDH1A1 477/4885TOP1 2125/4885

“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.