SCHEMBL20103308

SCHEMBL20103308

COc1cc(C2=CCC(CO)CC2)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.42
CDK9 P50750 8/20 0.42
ESR2 Q92731 1/20 0.41
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 7/20 0.36
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL20103398 0.81 ESR2 (0.42) CCNT1CDK9ESR2TLR9TLR8
SCHEMBL21688373 0.80 CDK9 (0.56) CCNT1CDK9FFAR4FFAR1
SCHEMBL20103296 0.78 ESR2 (0.46) CCNT1CDK9ESR2FFAR1
SCHEMBL20103303 0.78 CDK9 (0.47) CCNT1CDK9FFAR4FFAR1
SCHEMBL20103510 0.77 TLR9 (0.36) CCNT1CDK9TLR9TLR8TLR7
SCHEMBL20103569 0.75 ESR2 (0.52) CCNT1CDK9ESR2TLR9TLR8
SCHEMBL18180513 0.74 ESR2 (0.45) CCNT1CDK9ESR2
SCHEMBL20103515 0.71 ESR2 (0.47) CCNT1CDK9ESR2
SCHEMBL21644913 0.70 FFAR1 (0.43) ESR2TLR9TLR8TLR7FFAR4
SCHEMBL20103176 0.70 FFAR1 (0.43) ESR2TLR9TLR8TLR7FFAR4

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 5 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-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
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 CCNT1 1748/4885CDK9 3507/4885ESR2 97/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 CCNT1 1748/4885CDK9 3507/4885ESR2 97/4885

“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.