SCHEMBL3030873

SCHEMBL3030873

Cc1cc(=O)c(OC(=O)c2ccccc2)co1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
SLC6A3 Q01959 1/20 0.49
ELANE P08246 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
APLNR P35414 3/20 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
SCHEMBL3025615 0.85 MAPT (0.46) KMT2AMAPTSMN1; SMN2ELANEMEN1
SCHEMBL942730 0.79 ELANE (0.57) KMT2AMAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL3030393 0.77 CA12 (0.44) KMT2AMAPTSMN1; SMN2CA12CA9
SCHEMBL10328549 0.75 CYP1A2 (0.44) KMT2AMAPTSMN1; SMN2ELANEMEN1
SCHEMBL30450771 0.73 KMT2A (0.46) KMT2AMAPTSMN1; SMN2CA12CA9
SCHEMBL9644263 0.71 KMT2A (1.00) KMT2AMAPTSMN1; SMN2CA12CA9
SCHEMBL9721396 0.71 SMN1; SMN2 (0.63) KMT2AMAPTSMN1; SMN2CA12CA9
SCHEMBL17196170 0.70 SMN1; SMN2 (0.35) KMT2AMAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL725404 0.70 KMT2A (0.76) KMT2AMAPTSMN1; SMN2CA12CA9
SCHEMBL6766253 0.70 TSHR (0.63) KMT2AMAPTSMN1; SMN2SLC6A3MEN1

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 KMT2A 667/4885MAPT 2600/4885SMN1; SMN2 4332/4885
US-20100216873-A1 5-Hydroxy-2-Methyl-4H-Pyran-4-One Esters as Novel Tyrosinase Inhibitors TYR, CYP51A1, TH KMT2A 667/4885MAPT 2600/4885SMN1; SMN2 4332/4885

“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.