SCHEMBL4503330

SCHEMBL4503330

COc1cccc(Cl)c1CC1C(=O)N(C2CCCCC2)CC1CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 4/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
MEN1 O00255 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL4501069 0.89 KMT2A (0.39) LMNAKMT2AMAPTALDH1A1NPSR1
SCHEMBL4520571 0.85 LMNA (0.36) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL4516365 0.78 HSD11B1 (0.54) LMNACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL14365304 0.76 PARP1 (0.37) KMT2AMAPTALDH1A1GAATDP1
SCHEMBL4518285 0.76 KMT2A (0.40) CYP3A4CYP2C9CYP2C19KMT2AMAPT
SCHEMBL4500422 0.75 HSD11B1 (0.40) LMNAKMT2AALDH1A1POLBHSD11B1
SCHEMBL4510432 0.75 TDP1 (0.37) LMNACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4515989 0.74 MEN1 (0.38) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL13674436 0.73 POLB (0.40) LMNAKMT2AMAPTALDH1A1GAA
SCHEMBL4516476 0.73 KMT2A (0.40) LMNAKMT2AMAPTALDH1A1GAA

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 LMNA 2846/4885CYP3A4 671/4885CYP2C9 597/4885

“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.