SCHEMBL4498488

SCHEMBL4498488

O=C1C=C(O)C(c2ccccc2)O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIRT1 Q96EB6 6/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
SIRT5 Q9NXA8 2/20 0.37

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
SCHEMBL10533490 0.79 ALDH1A1 (0.44) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL1697379 0.76 KMT2A (0.51) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL31650964 0.72 ALDH1A1 (0.56) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL13237110 0.72 KDM4E (0.40) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL31514552 0.72 KMT2A (0.40) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL7564062 0.71 KDM4E (0.55) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL3363408 0.71 KDM4E (0.55) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL7565537 0.71 KDM4E (0.55) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL983728 0.70 ALDH1A1 (0.54) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL28452557 0.70 ALDH1A1 (0.54) KDM4EPOLBMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
CN-1215835-C Ketone derivatives and medical use thereof TORAY INDUSTRIES (JP) 2005-08-24 CN disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
CN-1194580-A Ketone derivatives and medical use thereof TORAY INDUSTRIES (JP) 1998-09-30 CN disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 KDM4E 1758/4885POLB 2658/4885MAPT 4559/4885

“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.