SCHEMBL4144992

SCHEMBL4144992

CC1(C)OC[C@H]([C@H]2COC3(C=C(C(=O)O)C(S(=O)(=O)Nc4ccc(F)cc4Cl)CC3)O2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.46
HCRTR2 O43614 7/20 0.35
HCRTR1 O43613 6/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NAMPT P43490 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31

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
SCHEMBL1867213 0.89 TLR4 (0.61) TLR4KMT2ALMNATP53MRGPRX1
SCHEMBL4146695 0.86 TLR4 (0.47) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4150878 0.86 TLR4 (0.47) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL14176734 0.85 TLR4 (0.51) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL1865788 0.85 TLR4 (0.50) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4958354 0.84 TLR4 (0.48) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4140826 0.84 TLR4 (0.47) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL14176725 0.83 TLR4 (0.49) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4163038 0.83 TLR4 (0.44) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4158515 0.82 TLR4 (0.44) TLR4KMT2ANPC1RAB9ALMNA

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-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF TLR4 29/4885HCRTR2 2388/4885HCRTR1 2980/4885

“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.