SCHEMBL2160859

SCHEMBL2160859

COc1ccc(OCC2(CO)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NUDT1 P36639 1/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RYR2 Q92736 1/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.40
FKBP1A P62942 1/20 0.40
MDM2 Q00987 1/20 0.39

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
SCHEMBL2161413 0.81 CA12 (0.41) CYP2C9TSHRKDM4ERYR2CA12
SCHEMBL7855235 0.80 CA1 (0.45) GAAALDH1A1KDM4EPOLBKMT2A
SCHEMBL27898008 0.75 CA12 (0.46) CYP2C9TSHRALDH1A1RYR2KMT2A
SCHEMBL4207677 0.74 ALDH1A1 (0.44) GAANUDT1ALDH1A1KMT2AMEN1
SCHEMBL9837777 0.74 ALDH1A1 (0.40) GAACYP2C9TSHRALDH1A1LMNA
SCHEMBL2161372 0.74 MEN1 (0.35) CYP2C9ALDH1A1KDM4ERYR2POLB
SCHEMBL19962982 0.74 SMN1; SMN2 (0.45) NUDT1TSHRPOLBKMT2AMEN1
SCHEMBL13534361 0.73 RYR2 (0.36) GAACYP2C9TSHRALDH1A1KDM4E
SCHEMBL902440 0.71 CYP2C9 (0.61) CYP2C9TSHRCA12CA1CA2
SCHEMBL19962981 0.70 NUDT1 (0.38) NUDT1KMT2AMEN1LMNAMDM2

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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 WO 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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO GAA 1116/4885NUDT1 15/4885CYP2C9 324/4885

“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.