SCHEMBL4597531

SCHEMBL4597531

COC(=O)c1ccc(Oc2ncc(C=O)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL2152378 0.83 CA1 (0.47) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL2152852 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL16838782 0.80 KDM4E (0.46) ALDH1A1LMNAL3MBTL1TSHRNPSR1
SCHEMBL4598308 0.80 ALDH1A1 (0.58) ALDH1A1MAPTLMNAGAAL3MBTL1
SCHEMBL15351317 0.79 HPGD (0.49) MAPTLMNAGAAL3MBTL1RAB9A
SCHEMBL15350800 0.79 MAPK1 (0.46) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL2152518 0.78 POLB (0.47) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4596521 0.77 KDM4E (0.65) ALDH1A1MAPTLMNAGAAL3MBTL1
SCHEMBL16838786 0.77 KDM4E (0.42) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4598157 0.76 ALDH1A1 (0.82) ALDH1A1MAPTLMNATDP1CA1

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 6 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 ALDH1A1 3484/4885MAPT 3432/4885LMNA 4700/4885

“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.