SCHEMBL2480099

SCHEMBL2480099

CCO[Si](OCC)(OCC)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
RAB9A P51151 5/20 0.47
SRD5A2 P31213 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8380212 0.84 HPGD (0.53) ALDH1A1HPGDSRD5A2KMT2ASMN1; SMN2
SCHEMBL28626715 0.83 MEN1 (0.44) ELANEALDH1A1RAB9ALMNAMEN1
SCHEMBL12035682 0.81 KMT2A (0.53) ELANEALDH1A1HPGDRAB9ALMNA
SCHEMBL2480326 0.80 MAPT (0.45) ALDH1A1HPGDRAB9ALMNAL3MBTL1
Methyl Alcohol SCHEMBL27925740 0.79 ESR1 (0.35) ALDH1A1HPGDRAB9ALMNAMAPK1
SCHEMBL29900 0.79 LTA4H (0.37) ALDH1A1HPGDRAB9AMAPK1L3MBTL1
SCHEMBL23530285 0.79 PARP10 (0.55) ALDH1A1RAB9AMAPK1KMT2ANPC1
Formic Acid SCHEMBL28319100 0.78 MEN1 (0.38) ALDH1A1HPGDRAB9ALMNAL3MBTL1
Alcohol SCHEMBL28278783 0.77 GLA (0.37) ALDH1A1HPGDRAB9ALMNAMAPK1
SCHEMBL28219501 0.77 NPSR1 (0.34) ELANEALDH1A1HPGDRAB9ALMNA

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-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 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 (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-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 ELANE 1584/4885ALDH1A1 554/4885HPGD 2695/4885

“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.