SCHEMBL5854161

SCHEMBL5854161

COCOc1cccc(-c2cc3ccc(OCOC)cc3oc2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
KDM4E B2RXH2 2/20 0.56
GLA P06280 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ACHE P22303 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOB P27338 6/20 0.53
MAOA P21397 2/20 0.53
GAPDH P04406 1/20 0.52
KLK7 P49862 1/20 0.51

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
SCHEMBL6939176 0.88 NPC1 (0.65) MIFNPC1RAB9AKDM4EGLA
SCHEMBL5854157 0.81 MIF (0.56) MIFNPC1RAB9AKDM4EGLA
SCHEMBL8788335 0.78 GLA (0.48) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL8787461 0.77 NPC1 (0.51) NPC1RAB9AKDM4EGLAALDH1A1
SCHEMBL3842740 0.77 MAOB (0.81) MIFNPC1RAB9AKDM4EGLA
SCHEMBL7858093 0.76 NPC1 (0.74) MIFNPC1RAB9AKDM4EGLA
SCHEMBL30108442 0.76 MIF (1.00) MIFNPC1RAB9AMEN1KMT2A
SCHEMBL28596131 0.76 MIF (1.00) MIFNPC1RAB9AMEN1KMT2A
SCHEMBL4358139 0.76 NPC1 (1.00) MIFNPC1RAB9AKDM4EGLA
SCHEMBL8787165 0.75 RAB9A (0.63) NPC1RAB9AKDM4EGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 MIF 3195/4885NPC1 3731/4885RAB9A 3404/4885

“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.