SCHEMBL4500089

SCHEMBL4500089

CC(C)(CO)N1CCC(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
P2RX7 Q99572 4/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4524379 0.84 ALDH1A1 (0.35) ALDH1A1SIGMAR1P2RX7KDM4ESMN1; SMN2
SCHEMBL4525765 0.82 ALDH1A1 (0.34) ALDH1A1P2RX7KDM4ESMN1; SMN2TSHR
SCHEMBL4503420 0.81 HTR2A (0.35) ALDH1A1SIGMAR1P2RX7KDM4ESMN1; SMN2
SCHEMBL4515486 0.80 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4525954 0.79 ALDH1A1 (0.35) ALDH1A1SIGMAR1P2RX7KDM4ESMN1; SMN2
SCHEMBL4525957 0.79 ALDH1A1 (0.35) ALDH1A1SIGMAR1P2RX7KDM4ESMN1; SMN2
SCHEMBL13674400 0.75 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRPOLB
SCHEMBL4501057 0.72 HSD11B1 (0.42) ALDH1A1P2RX7KDM4ESMN1; SMN2TSHR
SCHEMBL4511224 0.71 HSD11B1 (0.46) ALDH1A1P2RX7KDM4ESMN1; SMN2TSHR
SCHEMBL4514552 0.70 HSD11B1 (0.48) ALDH1A1P2RX7KDM4ESMN1; SMN2TSHR

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 ALDH1A1 51/4885SIGMAR1 2409/4885P2RX7 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.