SCHEMBL21644944

SCHEMBL21644944

COc1ccc(C(=O)O)c(C2CCC(CO)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 9/20 0.42
AKR1C3 P42330 7/20 0.42
AKR1C2 P52895 7/20 0.42
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
MTNR1A P48039 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
SCHEMBL26788238 0.90 PTGDR2 (0.51) PTGDR2SMN1; SMN2AKR1C3AKR1C2
SCHEMBL20103421 0.84 PTGDR2 (0.40) PTGDR2FFAR1MTNR1A
SCHEMBL29003896 0.83 HTR2C (0.49) PTGDR2SMN1; SMN2AKR1C3AKR1C2
SCHEMBL27879994 0.80 CREBBP (0.41) CAMKK1CAMKK2
SCHEMBL1148370 0.79 NPC1 (0.56) PTGDR2MTNR1A
SCHEMBL7028623 0.79 NPC1 (0.47) PTGDR2SMN1; SMN2
SCHEMBL20103517 0.79 FFAR1 (0.51) PTGDR2FFAR1
SCHEMBL21644868 0.79 FFAR1 (0.51) PTGDR2FFAR1
SCHEMBL20103513 0.79 FFAR1 (0.51) PTGDR2FFAR1
SCHEMBL31638753 0.79 PTGDR2 (0.47) PTGDR2FFAR1

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 2 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

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 PTGDR2 208/4885SMN1; SMN2 4068/4885FFAR1 16/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 PTGDR2 208/4885SMN1; SMN2 4068/4885FFAR1 16/4885

“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.