SCHEMBL3022639

SCHEMBL3022639

CCCCCCCC(=O)Oc1coc(C)cc1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.61
POLM Q9NP87 1/20 0.45
POLK Q9UBT6 1/20 0.45
POLL Q9UGP5 1/20 0.45
POLH Q9Y253 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TOP2A P11388 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3395761 0.99 ELANE (0.59) ELANEPOLMPOLKPOLLPOLH
SCHEMBL941862 0.84 ELANE (0.68) ELANEPOLMPOLKPOLLPOLH
SCHEMBL3207971 0.84 ELANE (0.68) ELANEPOLMPOLKPOLLPOLH
SCHEMBL126653 0.84 ELANE (0.68) ELANEPOLMPOLKPOLLPOLH
SCHEMBL3026330 0.82 KMT2A (0.43) ELANEALOX15KMT2ARAB9ASMN1; SMN2
SCHEMBL13671134 0.82 ELANE (0.87) ELANE
SCHEMBL125979 0.82 ELANE (0.87) ELANE
SCHEMBL10943835 0.76 ELANE (0.50) ELANEPOLMPOLKPOLLPOLH
SCHEMBL10950684 0.76 ELANE (0.50) ELANEPOLMPOLKPOLLPOLH
SCHEMBL6901164 0.74 LMNA (0.40) ELANENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183398-B2 5-hydroxy-2-methyl-4H-pyran-4-one esters as novel tyrosinase inhibitors EASTMAN CHEMICAL COMPANY (US) 2012-05-22 US disclosed
EP-2245024-A1 5-HYDROXY-2-METHYL-4H-PYRAN-4-ONE-ESTERS AS NOVEL TYROSINASE INHIBITORS Eastman Chemical Company (US) 2010-11-03 EP disclosed
US-20100216873-A1 5-Hydroxy-2-Methyl-4H-Pyran-4-One Esters as Novel Tyrosinase Inhibitors EASTMAN CHEMICAL COMPANY (US) 2010-08-26 US disclosed
WO-2009108272-A1 5-HYDROXY-2-METHYL-4H-PYRAN-4-ONE-ESTERS AS NOVEL TYROSINASE INHIBITORS EASTMAN CHEMICAL COMPANY (US) 2009-09-03 WO disclosed
US-20090215887-A1 5-HYDROXY-2-METHYL-4H-PYRAN-4-ONE ESTERS AS NOVEL TYROSINASE INHIBITORS EASTMAN CHEMICAL COMPANY (US) 2009-08-27 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-20090215887-A1 5-HYDROXY-2-METHYL-4H-PYRAN-4-ONE ESTERS AS NOVEL TYROSINASE INHIBITORS TYR, CYP51A1, TH ELANE 1627/4885POLM 1637/4885POLK 743/4885
US-20100216873-A1 5-Hydroxy-2-Methyl-4H-Pyran-4-One Esters as Novel Tyrosinase Inhibitors TYR, CYP51A1, TH ELANE 1627/4885POLM 1637/4885POLK 743/4885

“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.