SCHEMBL9892465

SCHEMBL9892465

N#CCN(/C=C/C=C(\C#N)C(=O)O)CC#N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.33
CISD1 Q9NZ45 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC16A3 O15427 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SLC16A1 P53985 1/20 0.33
GPR35 Q9HC97 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL13386049 0.84 EGFR (0.35) MCL1SLC16A3ALDH1A1SLC16A1EGFR
SCHEMBL13386046 0.84 EGFR (0.35) MCL1SLC16A3ALDH1A1SLC16A1EGFR
SCHEMBL14629855 0.82 MCL1 (0.31) MCL1CISD1KDM4ESLC16A3ALDH1A1
SCHEMBL14629854 0.82 MCL1 (0.31) MCL1CISD1KDM4ESLC16A3ALDH1A1
SCHEMBL12051138 0.82 DNM1 (0.38) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL9892464 0.82 DNM1 (0.38) KDM4EALDH1A1CYP3A4HPGD
SCHEMBL9892456 0.82 MEN1 (0.38) ALDH1A1
SCHEMBL15896596 0.77 SLC16A3 (0.32) SLC16A3SLC16A1EGFR
SCHEMBL14629840 0.77 CYP2C9 (0.37) MCL1CISD1KDM4ESLC16A3ALDH1A1
SCHEMBL14396678 0.77 CYP2C9 (0.37) MCL1CISD1KDM4ESLC16A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120140161-A1 POLYMER FILM, RETARDATION FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND ULTRAVIOLET ABSORBER FUJIFILM CORPORATION (JP) 2012-06-07 US disclosed
US-20110229662-A1 Polymer film, production method for the film, and retardation film, polarizing plate and liquid-crystal display device having the film FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
US-20110220843-A1 POLYMER FILM, ULTRAVIOLET ABSORBER, MEROCYANINE COMPOUND AND PROCESS FOR PREPARING MEROCYANINE COMPOUND FUJIFILM CORPORATION (JP) 2011-09-15 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-20110220843-A1 POLYMER FILM, ULTRAVIOLET ABSORBER, MEROCYANINE COMPOUND AND PROCESS FOR PREPARING MEROCYANINE COMPOUND HAMP, CRY1, CRY2 MCL1 2655/4885CISD1 986/4885KDM4E 790/4885

“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.