SCHEMBL4369443

SCHEMBL4369443

O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
HPGD P15428 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SRD5A2 P31213 1/20 0.51
MAPT P10636 7/20 0.51
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 2/20 0.46

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
SCHEMBL15385 0.91 SMN1; SMN2 (0.63) RAB9ANPC1HPGDL3MBTL1CASP3
Benzoyl Peroxide SCHEMBL1326365 0.90 RAB9A (0.62) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL31347990 0.90 RAB9A (0.62) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL2152936 0.90 RAB9A (0.62) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL4358091 0.88 RAB9A (0.52) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL28924800 0.83 SMN1; SMN2 (0.59) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL22619 0.82 CES2 (0.59) RAB9ANPC1HPGDL3MBTL1SMN1; SMN2
SCHEMBL22115811 0.82 CES2 (0.59) RAB9ANPC1HPGDL3MBTL1SMN1; SMN2
SCHEMBL6945787 0.82 RAB9A (0.58) RAB9ANPC1HPGDL3MBTL1CASP3
SCHEMBL1396691 0.82 RAB9A (0.54) RAB9ANPC1HPGDL3MBTL1CASP3

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-2280989-B1 CYCLOSPORIN ANALOGS AND THEIR USE IN THE TREATMENT OF HCV INFECTIONS SCYNEXIS INC (US) 2016-02-10 EP disclosed
US-9090671-B2 Macrocyclic peptides SCYNEXIS, INC. (US) 2015-07-28 US disclosed
US-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CYPRALIS LIMITED (GB) 2009-12-17 US 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-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CHP1, SARS1, HAVCR2 RAB9A 2802/4885NPC1 999/4885HPGD 3577/4885

“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.