SCHEMBL3745463

SCHEMBL3745463

COC(=O)c1cc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
F9 P00740 2/20 0.50
F10 P00742 2/20 0.50
KCNH2 Q12809 1/20 0.50
ALOX5 P09917 1/20 0.49
SCD O00767 1/20 0.48
CLK1 P49759 2/20 0.47
NR4A2 P43354 1/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 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
SCHEMBL17347192 0.90 NR4A2 (0.54) CYP3A4F9F10ALOX5NR4A2
SCHEMBL17149260 0.89 CYP3A4 (0.52) CYP3A4F9F10KCNH2NPC1
SCHEMBL15697595 0.88 F9 (0.53) F9F10CLK1NPC1MAOB
SCHEMBL17149262 0.88 MAOB (0.51) CYP3A4F9F10KCNH2MAOB
SCHEMBL17347188 0.87 MAOB (0.56) CYP3A4F9F10ALOX5NR4A2
SCHEMBL23480356 0.86 STING1 (0.53) CYP3A4F9F10ALOX5SCD
SCHEMBL15697573 0.85 PPARD (0.52) CYP3A4KCNH2MAOB
SCHEMBL17347190 0.83 CLK1 (0.56) CYP3A4F9F10ALOX5SCD
SCHEMBL17858452 0.83 CHRNA7 (0.52) CYP3A4CLK1NPC1HPGDRAB9A
SCHEMBL17347194 0.82 F9 (0.50) CYP3A4F9F10ALOX5NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CYP3A4 140/4885F9 3829/4885F10 1603/4885

“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.