SCHEMBL4597889

SCHEMBL4597889

COC(=O)c1ccc(C(=O)c2ccc(C)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
P4HTM Q9NXG6 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL29352173 0.84 RXFP1 (0.51) MAPK1MAPTALDH1A1CA1CA2
SCHEMBL18666820 0.84 RXFP1 (0.51) MAPK1MAPTALDH1A1CA1CA2
SCHEMBL82621 0.83 MAPK1 (0.67) MAPK1TDP1KDM4EL3MBTL1MAPT
SCHEMBL29565067 0.83 MAPK1 (0.67) MAPK1TDP1KDM4EL3MBTL1MAPT
SCHEMBL5655820 0.80 KDM4E (0.56) TDP1KDM4EALDH1A1LMNAP4HTM
SCHEMBL17427866 0.80 RAB9A (0.49) MAPK1KDM4EMAPTALDH1A1MEN1
SCHEMBL28335290 0.80 KMT2A (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4598095 0.79 MAPK1 (0.54) MAPK1TDP1KDM4EL3MBTL1MAPT
SCHEMBL1775145 0.79 TDP1 (0.87) TDP1MAPTALDH1A1CA1CA2
SCHEMBL12629290 0.78 ALDH1A1 (0.61) MAPK1KDM4EL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPK1 1081/4885TDP1 4587/4885KDM4E 3689/4885

“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.