SCHEMBL19834472

SCHEMBL19834472

O=Cc1ccc(F)cc1Oc1cccc(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
ACACA Q13085 4/20 0.42
ACACB O00763 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
BACE1 P56817 1/20 0.40
CYP2C9 P11712 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL19834591 0.82 ACACA (0.49) TLR4TLR2ACACAACACBFFAR4
SCHEMBL18570636 0.79 SCN8A (0.52) ACACBFFAR4CYP2C9HTR2AHTR2C
SCHEMBL28104159 0.75 LMNA (0.68) TLR4TLR2CYP2C9HTR2ALMNA
SCHEMBL30441849 0.75 TLR4 (0.49) TLR4TLR2
SCHEMBL27991135 0.75 TLR4 (0.49) TLR4TLR2
SCHEMBL23040084 0.74 PARP10 (0.55) TLR4TLR2FFAR4FFAR1
SCHEMBL19834363 0.74 ACACA (0.55) TLR4TLR2ACACAACACBLMNA
SCHEMBL636591 0.74 ALDH1A1 (0.63) CYP2C9HTR2CLMNAGAAKMT2A
SCHEMBL29750488 0.74 ALDH1A1 (0.63) CYP2C9HTR2CLMNAGAAKMT2A
SCHEMBL15968477 0.72 ALDH1A1 (0.61) ACACBGAAKMT2A

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-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 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 (2 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-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 TLR4 945/4885TLR2 828/4885ACACA 58/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 TLR4 945/4885TLR2 828/4885ACACA 58/4885

“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.