SCHEMBL4512706

SCHEMBL4512706

O=C1C(Cc2ccc(O)cc2Cl)CCN1C1CCCc2c(O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRD1 P41143 3/20 0.34
OPRK1 P41145 2/20 0.34
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 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
SCHEMBL4513325 0.92 KDM4E (0.40) TAS1R3TAS1R1TAS1R2KDM4EMEN1
SCHEMBL4525684 0.88 SIGMAR1 (0.46) TAS1R3TAS1R1TAS1R2SIGMAR1DRD2
SCHEMBL14365068 0.85 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2ESR1ESR2
SCHEMBL4509054 0.85 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2ESR1ESR2
SCHEMBL4526694 0.82 KDM4E (0.44) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL4521429 0.79 SIGMAR1 (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL4512444 0.76 HSD11B1 (0.54) ESR1ESR2ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL4508806 0.75 KDM4E (0.44) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL4513997 0.75 HSD11B1 (0.41) ESR1ESR2CYP26A1HSD11B1
SCHEMBL4527590 0.75 SIGMAR1 (0.43) SIGMAR1DRD2DRD4

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 TAS1R3 4185/4885TAS1R1 2679/4885TAS1R2 4061/4885

“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.