SCHEMBL918577

SCHEMBL918577

CCCCCCCCOc1cccc2c1C(=O)c1cccc(OCCCCCCCC)c1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.63
ELANE P08246 6/20 0.54
TTR P02766 1/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTPN1 P18031 1/20 0.47
CTSG P08311 1/20 0.46
MCHR1 Q99705 1/20 0.46
PRKCA P17252 4/20 0.45
POLM Q9NP87 1/20 0.45

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
SCHEMBL20678449 0.95 KCNA3 (0.71) KCNA3ELANETTRMEN1NR1I2
SCHEMBL27604497 0.95 KCNA3 (0.71) KCNA3ELANETTRMEN1NR1I2
SCHEMBL16076555 0.93 KCNA3 (0.62) KCNA3ELANETTRMEN1MAPT
SCHEMBL28498709 0.92 KCNA3 (0.62) KCNA3ELANETTRMEN1NR1I2
SCHEMBL28851017 0.89 KCNA3 (0.58) KCNA3ELANETTRMEN1NR1I2
SCHEMBL28986871 0.89 KCNA3 (0.70) KCNA3ELANETTRMEN1LMNA
SCHEMBL9017760 0.88 ELANE (0.67) KCNA3ELANETTRCTSGEGFR
SCHEMBL28050007 0.88 KCNA3 (0.59) KCNA3ELANETTRMEN1LMNA
SCHEMBL2920541 0.87 KCNA3 (0.55) KCNA3MEN1NR1I2LMNACHRM2
SCHEMBL16076554 0.84 MAOA (0.56) KCNA3ELANETTRMEN1LMNA

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-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES GARDI STEFANO 2011-01-20 US disclosed
US-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES GARDI STEFANO 2011-01-20 US disclosed
US-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES GARDI STEFANO 2011-01-20 US disclosed
US-20090076206-A1 Additive Mixtures for Agricultural Articles CIBA SPECIALTY CHEMICALS CORP. 2009-03-19 US disclosed
US-20090076206-A1 Additive Mixtures for Agricultural Articles CIBA SPECIALTY CHEMICALS CORP. 2009-03-19 US disclosed
US-20090076206-A1 Additive Mixtures for Agricultural Articles CIBA SPECIALTY CHEMICALS CORP. 2009-03-19 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 (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-20110015295-A1 ADDITIVE MIXTURES FOR AGRICULTURAL ARTICLES ACMSD, SCD5, DEGS1 KCNA3 3391/4885ELANE 3054/4885TTR 1995/4885
US-20090076206-A1 Additive Mixtures for Agricultural Articles SOD1, PPOX, CYBB KCNA3 2304/4885ELANE 4421/4885TTR 697/4885

“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.