SCHEMBL20103485

SCHEMBL20103485

COc1cc(C2CCC(CO)C(CC(C)C)C2)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SLC18A2 Q05940 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL20103605 0.84 FFAR1 (0.40) FFAR1TLR9TLR8TLR7FFAR4
SCHEMBL20103476 0.80 FFAR1 (0.41) FFAR1SLC18A2KCNH2
SCHEMBL21644913 0.77 FFAR1 (0.43) FFAR1TLR9TLR8TLR7FFAR4
SCHEMBL20103176 0.77 FFAR1 (0.43) FFAR1TLR9TLR8TLR7FFAR4
SCHEMBL20103177 0.77 FFAR1 (0.43) FFAR1TLR9TLR8TLR7FFAR4
SCHEMBL20103453 0.75 FFAR1 (0.59) FFAR1CYP3A4CYP2C8
SCHEMBL20103487 0.74 TLR9 (0.36) TLR9TLR8TLR7
SCHEMBL20103675 0.70 ALOX5AP (0.41) FFAR1TLR9TLR8TLR7FFAR4
SCHEMBL21644893 0.66 FFAR1 (0.35) FFAR1FFAR4CYP3A4
SCHEMBL20103360 0.66 FFAR1 (0.35) FFAR1FFAR4CYP3A4

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-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO 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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 FFAR1 16/4885TLR9 709/4885TLR8 726/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 FFAR1 16/4885TLR9 709/4885TLR8 726/4885

“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.