SCHEMBL4380214

SCHEMBL4380214

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(I)c1CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BRD4 O60885 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 3/20 0.40
PKM P14618 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL4386765 0.85 SMPD1 (0.44) SGMS2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4380278 0.84 HPGD (0.42) SGMS2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4385087 0.81 HSP90AB1 (0.34) HPGDRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4381582 0.79 LRRK2 (0.41) HPGDNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4381103 0.78 MTNR1A (0.45) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL3622943 0.74 EGFR (0.49) SGMS2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4396461 0.73 SLC26A3 (0.43) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL28085734 0.73 MTNR1A (0.46) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL4383171 0.72 PTGER1 (0.48) HPGDNPC1RAB9ASMN1; SMN2BRD4
SCHEMBL20607804 0.72 MRGPRX4 (0.46) HPGDNPC1RAB9ASMN1; SMN2SMPD1

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 SGMS2 4865/4885HPGD 3238/4885NPC1 1090/4885

“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.