SCHEMBL3660100

SCHEMBL3660100

COc1ccc(OC)c(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
CA9 Q16790 2/20 0.51
MAPK1 P28482 5/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ERN1 O75460 2/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL3193234 0.88 CYP3A4 (0.55) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL23190743 0.88 CYP3A4 (0.55) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL29429335 0.88 CYP3A4 (0.55) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL24497063 0.86 CA9 (0.58) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL1427664 0.84 CYP3A4 (0.51) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL11187909 0.84 CYP3A4 (0.51) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL9064266 0.83 CA12 (0.63) CYP3A4CA9MAPK1LMNACA12
SCHEMBL9752762 0.80 CYP3A4 (0.78) CYP3A4CA9MAPK1LMNAGAA
SCHEMBL11176106 0.80 ALDH1A1 (0.51) CYP3A4CA9LMNAMAPTALDH1A1
SCHEMBL31197714 0.79 PRKCI (0.57) CYP3A4CA9MAPK1LMNAGAA

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
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CYP3A4 2582/4885CA9 2611/4885MAPK1 1553/4885

“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.