SCHEMBL4512444

SCHEMBL4512444

O=C1C(Cc2ccc(O)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
P2RX7 Q99572 5/20 0.38
CYP26A1 O43174 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
EPHX2 P34913 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL2991762 0.91 HSD11B1 (0.50) HSD11B1P2RX7CYP26A1ESR1ESR2
SCHEMBL4511563 0.90 HSD11B1 (0.54) HSD11B1P2RX7CYP26A1SIGMAR1LMNA
SCHEMBL4513997 0.89 HSD11B1 (0.41) HSD11B1P2RX7CYP26A1FFAR1ESR1
SCHEMBL3000826 0.88 HSD11B1 (0.56) HSD11B1P2RX7SIGMAR1FFAR1EPHX2
SCHEMBL2991795 0.88 HSD11B1 (0.56) HSD11B1P2RX7SIGMAR1FFAR1EPHX2
SCHEMBL4512383 0.87 HSD11B1 (0.40) HSD11B1P2RX7CYP26A1FFAR1EPHX2
SCHEMBL2994518 0.87 HSD11B1 (0.44) HSD11B1P2RX7CYP26A1ALDH1A1ESR1
SCHEMBL3555104 0.86 HSD11B1 (0.55) HSD11B1P2RX7ALDH1A1SMN1; SMN2LMNA
SCHEMBL14365228 0.86 HSD11B1 (0.39) HSD11B1P2RX7CYP26A1ESR1ESR2
SCHEMBL13675546 0.86 HSD11B1 (0.55) HSD11B1P2RX7ALDH1A1SMN1; SMN2LMNA

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 4 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

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 1/4885P2RX7 3946/4885CYP26A1 66/4885

“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.