SCHEMBL13809174

SCHEMBL13809174

CCN(CCOC(=O)/C=C/c1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
ALDH1A1 P00352 4/20 0.48
TTR P02766 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
APP P05067 4/20 0.48
AKR1B10 O60218 3/20 0.48
AKR1B1 P15121 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL13849463 0.87 ALDH1A1 (0.62) ACHEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL20914998 0.80 AKR1B10 (0.72) ALDH1A1TTRKDM4EHPGDSMN1; SMN2
SCHEMBL30449068 0.80 AKR1B10 (0.72) ALDH1A1TTRKDM4EHPGDSMN1; SMN2
SCHEMBL28989637 0.80 APP (0.66) ALDH1A1TTRKDM4EHPGDSMN1; SMN2
SCHEMBL7908387 0.78 ALDH1A1 (0.65) ACHEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7908382 0.78 ALDH1A1 (0.65) ACHEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4624106 0.78 APP (0.67) SMN1; SMN2APPAKR1B10AKR1B1EGFR
SCHEMBL4624105 0.78 APP (0.67) SMN1; SMN2APPAKR1B10AKR1B1EGFR
SCHEMBL29040562 0.77 AKR1B10 (0.71) ALDH1A1TTRKDM4EHPGDSMN1; SMN2
SCHEMBL4866988 0.77 TTR (0.64) TTRAPPCYP3A4MAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009076618-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-06-18 WO disclosed
US-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2009-05-14 US disclosed
US-20090016990-A1 Antimicrobial Compositions CUTLER, ELIOT 2009-01-15 US disclosed
WO-2008092006-A2 ANTIMICROBIAL COMPOSITIONS CERNOFINA, LLC (US) 2008-07-31 WO 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 (2 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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins SELP, SELE, SELPLG ACHE 4274/4885ALDH1A1 1723/4885TTR 1985/4885
US-20090016990-A1 Antimicrobial Compositions C5, TLR1, PRF1 ACHE 3787/4885ALDH1A1 791/4885TTR 3846/4885

“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.