SCHEMBL16796703

SCHEMBL16796703

CCOC(=O)CCC(O)c1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE5A O76074 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
APP P05067 1/20 0.37

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
SCHEMBL16796779 0.82 CYP4F2 (0.45) NLRP3SMN1; SMN2CYP4F2CYP4A11
SCHEMBL27517377 0.81 PDE5A (0.40) ALDH1A1KDM4EL3MBTL1PDE5AKMT2A
SCHEMBL27563086 0.77 PDE5A (0.43) ALDH1A1PDE5AKMT2APOLBMEN1
SCHEMBL27582994 0.77 MEN1 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL28080073 0.75 L3MBTL1 (0.45) NLRP3ALDH1A1HSD17B10KDM4EGLA
SCHEMBL2502601 0.74 NLRP3 (0.44) NLRP3SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL5591170 0.73 CASP1 (0.55) NLRP3SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL6865748 0.73 ALDH1A1 (0.46) NLRP3SMN1; SMN2ALDH1A1HSD17B10CYP4F2
SCHEMBL9094407 0.73 HTT (0.40) ALDH1A1HSD17B10MAPTPDE5AKMT2A
SCHEMBL8133440 0.73 HTT (0.40) ALDH1A1HSD17B10MAPTPDE5AKMT2A

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
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 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-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 NLRP3 97/4885SMN1; SMN2 764/4885ALDH1A1 205/4885

“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.