SCHEMBL6732335

SCHEMBL6732335

CCOC(=O)c1cnc2c(COC(C)=O)cc(C)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
DPP4 P27487 2/20 0.38

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
SCHEMBL11240555 0.82 THRB (0.57) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL6201155 0.80 THRB (0.45) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL19783662 0.80 THRB (0.45) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL6769426 0.79 KMT2A (0.39) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL10432871 0.78 KMT2A (0.44) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9032443 0.78 KMT2A (0.41) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL6608428 0.78 THRB (0.48) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL6732648 0.77 ALDH1A1 (0.50) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL6288997 0.74 KMT2A (0.45) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL9814048 0.74 KMT2A (0.51) MAPTKMT2AMEN1ALDH1A1NPC1

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-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 THRB 4747/4885MAPT 4388/4885KMT2A 993/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 THRB 4747/4885MAPT 4388/4885KMT2A 993/4885

“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.