SCHEMBL29954345

SCHEMBL29954345

OB(O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.53
S1PR5 Q9H228 1/20 0.48
ERN1 O75460 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.47
ENPP2 Q13822 1/20 0.45
NPC1 O15118 1/20 0.43
PTGER1 P34995 1/20 0.43
KDM1A O60341 2/20 0.43
CTSA P10619 1/20 0.42
FOLH1 Q04609 1/20 0.41

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
SCHEMBL212034 1.00 LIPE (0.53) LIPES1PR5ERN1MRGPRX4ENPP2
SCHEMBL16034064 0.88 LIPE (0.53) LIPES1PR5MRGPRX4ENPP2NPC1
SCHEMBL18500353 0.87 ERN1 (0.41) LIPES1PR5ERN1MRGPRX4ENPP2
SCHEMBL16320521 0.85 LIPE (0.57) LIPEENPP2NPC1FOLH1
SCHEMBL28606699 0.83 LIPE (0.68) LIPEENPP2NPC1FOLH1
SCHEMBL29954144 0.81 LIPE (0.57) LIPEMRGPRX4ENPP2
SCHEMBL8453 0.81 ENPP2 (0.66) LIPEMRGPRX4ENPP2NPC1
SCHEMBL29952431 0.81 ENPP2 (0.66) LIPEMRGPRX4ENPP2NPC1
SCHEMBL1163386 0.81 LIPE (0.57) LIPEMRGPRX4ENPP2
SCHEMBL17236436 0.81 RAB9A (0.56) LIPEENPP2FOLH1

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 LIPE 155/4885S1PR5 764/4885ERN1 792/4885

“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.