SCHEMBL3025615

SCHEMBL3025615

Cc1cc(=O)c(OC(=O)c2ccc(F)cc2)co1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
APLNR P35414 8/20 0.42
ELANE P08246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3030873 0.85 KMT2A (0.54) MAPTKMT2AMEN1APLNRELANE
SCHEMBL3030393 0.75 CA12 (0.44) MAPTKMT2AMEN1POLBALOX12
SCHEMBL10328549 0.73 CYP1A2 (0.44) MAPTKMT2AMEN1POLBAPLNR
SCHEMBL13177337 0.71 KMT2A (0.52) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3026330 0.71 KMT2A (0.43) MAPTKMT2AELANESMN1; SMN2MAPK1
SCHEMBL2831997 0.70 KMT2A (0.54) MAPTKMT2AMEN1POLBL3MBTL1
SCHEMBL2833903 0.70 CYP1A2 (0.56) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2838559 0.69 SMN1; SMN2 (0.46) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL23235066 0.69 RAB9A (0.49) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL17196170 0.69 SMN1; SMN2 (0.35) MAPTKMT2AMEN1ELANESMN1; 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 MAPT 2600/4885KMT2A 667/4885MEN1 4068/4885
US-20100216873-A1 5-Hydroxy-2-Methyl-4H-Pyran-4-One Esters as Novel Tyrosinase Inhibitors TYR, CYP51A1, TH MAPT 2600/4885KMT2A 667/4885MEN1 4068/4885

“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.