SCHEMBL2992233

SCHEMBL2992233

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)C2=C(CCCC2=O)N1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
LMNA P02545 1/20 0.77
KDM4E B2RXH2 13/20 0.68
ALDH1A1 P00352 12/20 0.68
HSD17B10 Q99714 7/20 0.64
HPGD P15428 6/20 0.64
CASP1 P29466 5/20 0.64
CASP7 P55210 5/20 0.64
GAA P10253 4/20 0.64
MAPK1 P28482 1/20 0.61
FFAR3 O14843 2/20 0.59
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 1/20 0.57
ALOX15 P16050 1/20 0.56

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
SCHEMBL16211041 0.95 SMN1; SMN2 (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3324655 0.94 SMN1; SMN2 (0.72) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3324888 0.91 KDM4E (0.79) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3323128 0.91 SMN1; SMN2 (0.67) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3325258 0.88 KDM4E (0.66) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3329777 0.87 ALDH1A1 (0.78) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3245063 0.87 SMN1; SMN2 (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL12135800 0.87 LMNA (0.73) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL4254529 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL3326098 0.86 KDM4E (0.80) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885KDM4E 1088/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885KDM4E 1088/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885KDM4E 1088/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R SMN1; SMN2 1739/4885LMNA 738/4885KDM4E 1088/4885

“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.