SCHEMBL4385596

SCHEMBL4385596

COC(=O)C(c1cc(O)cc(O)c1)c1ccc(CN(CCCN2CCOCC2)C(C)=O)o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.40
TSHR P16473 2/20 0.38
ACKR3 P25106 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL4380961 0.88 CASR (0.38) CASRTSHRACKR3NPSR1ALDH1A1
SCHEMBL4385587 0.75 NPSR1 (0.37) CASRTSHRACKR3NPSR1ALDH1A1
SCHEMBL4388220 0.70 ESR2 (0.35) ALDH1A1L3MBTL1
SCHEMBL4389560 0.69 MTNR1A (0.38) ALDH1A1L3MBTL1
SCHEMBL4380957 0.67 ALDH1A1 (0.36) TSHRACKR3NPSR1ALDH1A1LMNA
SCHEMBL13863025 0.64 HRH3 (0.47) TSHRNPSR1ALDH1A1LMNAOPRM1
SCHEMBL22769386 0.64 TSHR (0.44) TSHRNPSR1L3MBTL1OPRM1OPRD1
SCHEMBL4394954 0.63 HDAC1 (0.44) NPSR1ALDH1A1LMNAPKML3MBTL1
SCHEMBL30095890 0.63 NPSR1 (0.43) TSHRNPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL29833839 0.63 MRGPRX1 (0.49) TSHRNPSR1LMNAUSP2

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
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CASR 2635/4885TSHR 487/4885ACKR3 4046/4885

“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.