SCHEMBL3217512

SCHEMBL3217512

CCOC(=O)CCc1ccc(OCCOC)cc1OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ESR1 P03372 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 2/20 0.39
FFAR1 O14842 1/20 0.39
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4B Q07343 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3202817 0.83 CNR2 (0.44) BRD4ESR1CNR1CNR2POLB
SCHEMBL3213102 0.81 CNR1 (0.38) CNR1CNR2FFAR1ERBB2ALDH1A1
SCHEMBL3211241 0.80 PARP15 (0.36) CNR1CNR2FFAR1ERBB2PDE4B
SCHEMBL3213941 0.80 FFAR1 (0.43) FFAR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL3217588 0.78 PPARG (0.59) CNR1CNR2
SCHEMBL3210374 0.78 POLB (0.50) CNR1CNR2POLB
SCHEMBL4666259 0.78 PPARG (0.42) FFAR1PDE4BPARP15PARP10
SCHEMBL3218781 0.77 L3MBTL1 (0.47) FFAR1TDP1
SCHEMBL27716262 0.77 FDPS (0.43) ESR1POLBERBB2ALDH1A1PDE4B
SCHEMBL3205050 0.75 PPARG (0.54) TDP1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 BRD4 1590/4885ESR1 3205/4885CNR1 3006/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 BRD4 2419/4885ESR1 2776/4885CNR1 2517/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 BRD4 1590/4885ESR1 3205/4885CNR1 3006/4885

“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.