SCHEMBL21644936

SCHEMBL21644936

CCc1ccc(F)c(C2=CCC(C(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.41
CCNT1 O60563 12/20 0.41
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 2/20 0.35

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
SCHEMBL20103395 0.86 ALDH1A1 (0.47) CDK9CCNT1ALDH1A1SMN1; SMN2
SCHEMBL20182440 0.80 S1PR1 (0.51) CDK9CCNT1S1PR1S1PR5ALDH1A1
SCHEMBL20103515 0.80 ESR2 (0.47) CDK9CCNT1RORC
SCHEMBL18866894 0.73 CDK9 (0.50) CDK9CCNT1RORC
SCHEMBL23203494 0.72 CDK9 (0.41) CDK9CCNT1RORC
SCHEMBL20103345 0.72 CDK9 (0.49) CDK9CCNT1ALDH1A1SMN1; SMN2
SCHEMBL21688373 0.71 CDK9 (0.56) CDK9CCNT1
SCHEMBL7709716 0.71 ALDH1A1 (0.47) CDK9CCNT1ALDH1A1
SCHEMBL20103466 0.71 CDK9 (0.46) CDK9CCNT1ALDH1A1SMN1; SMN2
SCHEMBL2521074 0.70 CCNT1 (0.50) CDK9CCNT1RORC

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 CDK9 3507/4885CCNT1 1748/4885S1PR1 457/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 CDK9 3507/4885CCNT1 1748/4885S1PR1 457/4885

“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.