SCHEMBL4853510

SCHEMBL4853510

COc1ccc(C(=O)C(C)(C)C(C)(C)C(=O)O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.56
PLK1 P53350 1/20 0.55
HPGDS O60760 1/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
CYP2C9 P11712 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
STAT6 P42226 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR2 P34972 2/20 0.42

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
SCHEMBL4469856 0.79 CDC25B (0.78) CDC25BPLK1HPGDSMAPTKMT2A
Hydrochloric Acid SCHEMBL11445757 0.77 CDC25B (0.76) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL14124722 0.76 CDC25B (0.64) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL7842295 0.75 PLK1 (0.67) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL4518755 0.75 PLK1 (0.67) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL10975672 0.74 HPGDS (0.59) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL10975665 0.74 HPGDS (0.59) CDC25BPLK1HPGDSMAPTKMT2A
Cyanide SCHEMBL11198616 0.74 CDC25B (0.71) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL6250609 0.74 MAPT (0.77) CDC25BPLK1HPGDSMAPTKMT2A
SCHEMBL7560388 0.74 CDC25B (0.88) CDC25BPLK1HPGDSMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459555-B2 Photochromic naphthopyrans RODENSTOCK GMBH (DE) 2008-12-02 US disclosed
US-20020052499-A1 Photochromic naphthopyrans OPTISCHE WERKE G. RODENSTOCK 2002-05-02 US disclosed
EP-1005464-B1 PHOTOCHROMIC NAPHTHOPYRANS RODENSTOCK OPTIK G (DE) 2002-04-17 EP disclosed
US-6342459-B1 PHOTOCHROMIC COMPOUNDS AND ARTICLES OF RESIN FOR OPTHTHALMIC LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 2002-01-29 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 (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-20020052499-A1 Photochromic naphthopyrans BPNT1, NR2E3, BRIX1 CDC25B 1513/4885PLK1 4427/4885HPGDS 1279/4885

“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.