SCHEMBL6566853

SCHEMBL6566853

COc1cccc(NC(=O)Nc2ccc(OC(c3ccccc3)c3ccccc3)c(CC(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.53
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MITF O75030 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 3/20 0.48
HIF1A Q16665 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
STAT1 P42224 1/20 0.47

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
SCHEMBL6564613 0.92 HIF1A (0.50) CASRTSHRTP53RAB9ANPC1
SCHEMBL6566599 0.89 FPR2 (0.53) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6565978 0.86 CASR (0.52) CASRTSHRTP53RAB9ANPC1
SCHEMBL6566619 0.82 KMT2A (0.51) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL6564574 0.82 TSHR (0.55) CASRTSHRTP53RAB9ANPC1
SCHEMBL6564596 0.82 TSHR (0.55) CASRTSHRTP53RAB9ANPC1
SCHEMBL6567509 0.82 CASR (0.53) CASRTSHRTP53RAB9ANPC1
SCHEMBL6566998 0.81 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL6568007 0.80 KMT2A (0.47) TP53RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL6564461 0.79 RAB9A (0.50) TSHRTP53RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CASR 1621/4885TSHR 1061/4885TP53 4453/4885

“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.