SCHEMBL13675513

SCHEMBL13675513

O=C1C(Cc2ccc(-c3ccc(CO)o3)cc2Cl)CCN1C1CCC2(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ROCK2 O75116 1/20 0.31
FTO Q9C0B1 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
SCHEMBL4516353 0.91 ACVRL1 (0.33) HSD11B1TRPV1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13674544 0.91 ACVRL1 (0.33) HSD11B1TRPV1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13675467 0.82 HSD11B1 (0.39) HSD11B1ROCK2
SCHEMBL13675549 0.82 HSD11B1 (0.41) HSD11B1ROCK2
SCHEMBL13675620 0.80 HSD11B1 (0.39) HSD11B1ROCK2
SCHEMBL13675572 0.79 KMT2A (0.35) HSD11B1ALDH1A1KDM4EMAPTROCK2
SCHEMBL4519319 0.79 HSD11B1 (0.54) HSD11B1
SCHEMBL4504541 0.79 ALDH1A1 (0.36) HSD11B1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13675523 0.77 DPP4 (0.37) HSD11B1
SCHEMBL13675573 0.77 MCHR1 (0.37) HSD11B1ROCK2

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 1/4885TRPV1 3739/4885ALDH1A1 51/4885

“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.