SCHEMBL20103431

SCHEMBL20103431

COc1ccc(Cl)c(C2=CCC(CO)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
SLC6A4 P31645 2/20 0.39
KDM1A O60341 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
CYP26A1 O43174 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
HTR1A P08908 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 2/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL20103296 0.85 ESR2 (0.46) ESR2SLC6A4KDM1AMAPTCYP26A1
SCHEMBL31638693 0.81 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1
SCHEMBL31638726 0.81 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1TDP1
SCHEMBL31638831 0.81 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1HTR1A
SCHEMBL20103362 0.76 ALDH1A1 (0.44) MAPTCCNT1CDK9TDP1ALDH1A1
SCHEMBL20103368 0.69 PTGDR2 (0.41) ESR2SLC6A4MAPTFFAR4HTR1A
SCHEMBL19175041 0.69 SUV39H2 (0.41) KDM1AHSP90AA1HSP90AB1CCNT1CDK9
SCHEMBL18180513 0.68 ESR2 (0.45) ESR2CCNT1CDK9
SCHEMBL19785375 0.68 HSP90AA1 (0.56) KDM1AHSP90AA1HSP90AB1MAPTTDP1
SCHEMBL20103308 0.68 CCNT1 (0.42) ESR2FFAR4CCNT1CDK9

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 ESR2 97/4885SLC6A4 3848/4885KDM1A 2863/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ESR2 97/4885SLC6A4 3848/4885KDM1A 2863/4885

“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.