SCHEMBL19230824

SCHEMBL19230824

COC(=O)c1ccc2c(c1)CCC(c1ccc(OC)cc1C(F)(F)F)O2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SLC8A1 P32418 4/20 0.42
EPHX2 P34913 4/20 0.40
SLC9A1 P19634 1/20 0.40
PROKR1 Q8TCW9 2/20 0.40
NQO2 P16083 3/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
RBP4 P02753 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL19230992 0.89 ESR2 (0.44) NOTUMSLC8A1RBP4CFTR
SCHEMBL19230577 0.87 KDM4E (0.44) SLC8A1
SCHEMBL19230991 0.85 SLC8A1 (0.43) SLC8A1
SCHEMBL19230614 0.81 ESR1 (0.50) SLC8A1
SCHEMBL19230370 0.79 SLC8A1 (0.37) NOTUMSLC8A1RBP4
SCHEMBL19230784 0.79 SLC8A1 (0.36) SLC8A1
SCHEMBL19230375 0.77 ESR2 (0.46) SLC8A1
SCHEMBL19230778 0.77 NR1H4 (0.59)
SCHEMBL19230993 0.76 ESR1 (0.47) SLC8A1
SCHEMBL19230789 0.76 ESR1 (0.39) SLC8A1

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-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
US-20150307452-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-10-29 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-20150307452-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS3, NDUFV2 NOTUM 3925/4885SLC8A1 2347/4885EPHX2 2454/4885

“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.