SCHEMBL20103569

SCHEMBL20103569

COc1cc(C2=CCC(CO)CC2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
TLR8 Q9NR97 2/20 0.39
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ACVR2A P27037 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
KIT P10721 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LRRK2 Q5S007 2/20 0.34
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
SYK P43405 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
SCHEMBL20103308 0.75 CCNT1 (0.42) ESR2TLR9TLR7TLR8CCNT1
SCHEMBL17731023 0.74 CDK5 (0.40) CSNK2A2CSNK2A1TLR9TLR7TLR8
SCHEMBL18180513 0.73 ESR2 (0.45) ESR2CCNT1CDK9
SCHEMBL20103404 0.70 ESR1 (0.46) ESR2CSNK2A2CSNK2A1TLR9TLR7
SCHEMBL20524227 0.70 ESR2 (1.00) ESR2
SCHEMBL16116782 0.68 LOX (0.55) LOXLOXL2ACVR2ATGFBR1TGFBR2
SCHEMBL30626327 0.68 LOX (0.55) LOXLOXL2ACVR2ATGFBR1TGFBR2
SCHEMBL21381369 0.68 CCNT1 (0.41) ESR2TLR9TLR7TLR8CCNT1
SCHEMBL30790744 0.67 SMARCA2 (0.45)
SCHEMBL20103431 0.67 ESR2 (0.46) ESR2CCNT1CDK9

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 97/4885CSNK2A2 1176/4885CSNK2A1 1596/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 ESR2 97/4885CSNK2A2 1176/4885CSNK2A1 1596/4885

“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.