SCHEMBL4512383

SCHEMBL4512383

O=C1C(Cc2ccc(O)cc2Cl)CCN1C1CCC(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CYP26A1 O43174 2/20 0.35
P2RX7 Q99572 3/20 0.34
ESR1 P03372 7/20 0.33
ESR2 Q92731 6/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
EPHX2 P34913 1/20 0.33
ROCK2 O75116 1/20 0.31
CYP2D6 P10635 1/20 0.31
FFAR1 O14842 2/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL2996004 0.90 P2RX7 (0.43) HSD11B1P2RX7EPHX2FFAR1
SCHEMBL2992277 0.90 P2RX7 (0.43) HSD11B1P2RX7EPHX2FFAR1
SCHEMBL4512444 0.87 HSD11B1 (0.54) HSD11B1CYP26A1P2RX7ESR1ESR2
SCHEMBL4513997 0.86 HSD11B1 (0.41) HSD11B1CYP26A1P2RX7ESR1ESR2
SCHEMBL4513605 0.86 FFAR4 (0.40) HSD11B1
SCHEMBL14365228 0.83 HSD11B1 (0.39) HSD11B1CYP26A1P2RX7ESR1ESR2
SCHEMBL4502408 0.82 HSD11B1 (0.39) HSD11B1CYP26A1P2RX7ESR1ESR2
SCHEMBL4515447 0.82 S1PR1 (0.39) HSD11B1FFAR1
SCHEMBL4508780 0.81 HSD11B1 (0.37) HSD11B1P2RX7ESR1
SCHEMBL4508921 0.81 HSD11B1 (0.42) HSD11B1CYP2C9ROCK2

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 1 patent. 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

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 1/4885CYP26A1 66/4885P2RX7 3946/4885

“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.