SCHEMBL4511563

SCHEMBL4511563

O=C1C(Cc2cc(O)ccc2Cl)CCN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP26A1 O43174 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
PER2 O15055 1/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
ROCK2 O75116 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
SCHEMBL4512444 0.90 HSD11B1 (0.54) HSD11B1ESR1ESR2CYP26A1SIGMAR1
SCHEMBL2991762 0.84 HSD11B1 (0.50) HSD11B1ESR1ESR2CYP26A1P2RX7
SCHEMBL4518087 0.83 HSD11B1 (0.52) HSD11B1LMNA
SCHEMBL3554597 0.82 HSD11B1 (0.67) HSD11B1LMNAROCK2
SCHEMBL4700027 0.82 HSD11B1 (0.48) HSD11B1ESR1ESR2CYP26A1SIGMAR1
SCHEMBL4504147 0.81 HSD11B1 (0.50) HSD11B1SIGMAR1
SCHEMBL4507215 0.81 HSD11B1 (0.47) HSD11B1LMNA
SCHEMBL209343 0.81 HSD11B1 (0.54) HSD11B1PER2
SCHEMBL4698733 0.81 HSD11B1 (0.61) HSD11B1LMNAP2RX7ROCK2
SCHEMBL2994518 0.80 HSD11B1 (0.44) HSD11B1ESR1ESR2CYP26A1P2RX7

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 HSD11B1 1/4885ESR1 3652/4885ESR2 2793/4885

“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.