SCHEMBL24512640

SCHEMBL24512640

O=Cc1cc(OC2CCOCC2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAPK14 Q16539 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
FFAR1 O14842 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
FFAR4 Q5NUL3 5/20 0.36
SYK P43405 1/20 0.36
GPER1 Q99527 1/20 0.36
S1PR3 Q99500 1/20 0.35
GRM5 P41594 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL26345034 0.92 ACACB (0.40) APPHRH3FFAR1FFAR4GPER1
SCHEMBL29416754 0.92 ACACB (0.40) APPHRH3FFAR1FFAR4GPER1
SCHEMBL29416716 0.92 ACACB (0.40) APPHRH3FFAR1FFAR4GPER1
SCHEMBL28703678 0.92 ACACB (0.40) APPHRH3FFAR1FFAR4GPER1
SCHEMBL26345001 0.92 ACACB (0.40) APPHRH3FFAR1FFAR4GPER1
SCHEMBL6567753 0.86 PTGS1 (0.48) APPFFAR1PTGS1PTGS2FFAR4
SCHEMBL15785548 0.81 APP (0.45) APPMAPK14HRH3FFAR1PTGS1
SCHEMBL29416715 0.77 APP (0.43) APPMAPK14HRH3FFAR1PTGS1
SCHEMBL28691522 0.77 APP (0.43) APPMAPK14HRH3FFAR1PTGS1
SCHEMBL15782898 0.77 SYK (0.44) APPMAPK14HRH3FFAR1PTGS1

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
CN-114149423-B Tetrahydropyridopyrimidinedione derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-12-12 CN disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
CN-114149423-A Tetrahydropyridopyrimidine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-03-08 CN 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 APP 3995/4885MAPK14 1784/4885HRH3 4547/4885

“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.