SCHEMBL4516845

SCHEMBL4516845

CCC1(O)CCC(N2CCC(Cc3c(Cl)cccc3Cl)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4509440 0.88 HSD11B1 (0.44) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4525494 0.83 HSD11B1 (0.47) HSD11B1POLB
SCHEMBL4522638 0.81 HSD11B1 (0.46) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL2989117 0.81 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL2989122 0.81 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4514552 0.81 HSD11B1 (0.48) HSD11B1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4513830 0.81 HSD11B1 (0.43) HSD11B1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL3553955 0.80 HSD11B1 (0.64) HSD11B1SMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL4512741 0.79 HSD11B1 (0.49) HSD11B1POLBP2RX7ALDH1A1KMT2A
SCHEMBL4505857 0.79 HSD11B1 (0.44) HSD11B1KDM4ESMN1; SMN2ALDH1A1KMT2A

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 HSD11B1 1/4885KDM4E 2703/4885SMN1; SMN2 4487/4885

“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.