SCHEMBL4515943

SCHEMBL4515943

O=C1C(Cc2ccc(O)cc2Cl)CCN1C12CC3CC(CC(CO)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
ALDH1A1 P00352 5/20 0.36
IDE P14735 2/20 0.36
LMNA P02545 2/20 0.32
CYP26A1 O43174 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KMT2A Q03164 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
SCHEMBL4515995 0.90 ALDH1A1 (0.36) P2RX7ALDH1A1IDELMNASMN1; SMN2
SCHEMBL5543748 0.86 S1PR1 (0.34) P2RX7ALDH1A1IDELMNA
SCHEMBL4504312 0.85 ALDH1A1 (0.38) P2RX7ALDH1A1IDEKMT2A
SCHEMBL14365303 0.83 P2RX7 (0.37) P2RX7ALDH1A1IDELMNASMN1; SMN2
SCHEMBL4520440 0.82 IDE (0.35) P2RX7ALDH1A1IDELMNASMN1; SMN2
SCHEMBL4514407 0.80 KDM1A (0.35) ALDH1A1IDELMNASMN1; SMN2
SCHEMBL5127854 0.79 P2RX7 (0.38) P2RX7ALDH1A1IDELMNASMN1; SMN2
SCHEMBL5132089 0.77 ALDH1A1 (0.37) P2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4514378 0.76 CYP3A4 (0.36) ALDH1A1IDE
SCHEMBL4506472 0.76 ALDH1A1 (0.48) P2RX7ALDH1A1IDESMN1; SMN2KMT2A

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 P2RX7 3946/4885ALDH1A1 51/4885IDE 159/4885

“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.