SCHEMBL3211256

SCHEMBL3211256

COCOc1cc(OCCCO)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAOB P27338 2/20 0.46
HDAC8 Q9BY41 4/20 0.40
PDE2A O00408 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 2/20 0.40
ERN1 O75460 3/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
BACE1 P56817 2/20 0.38
TUBB1 Q9H4B7 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15189007 0.89 ALDH1A1 (0.49) ALDH1A1MAOBHDAC8ERN1TUBB1
SCHEMBL3200445 0.87 ALDH1A1 (0.56) ALDH1A1MAOBHDAC8ERN1TRIM24
SCHEMBL3209556 0.82 ALDH1A1 (0.69) ALDH1A1MAOBHDAC8ERN1TRIM24
SCHEMBL16851803 0.82 BACE1 (0.46) ALDH1A1ERN1BACE1TUBB1HPGD
SCHEMBL7785542 0.81 ALDH1A1 (0.47) ALDH1A1MAOBHDAC8PDE2APDE3B
SCHEMBL3202477 0.80 MAOB (0.41) ALDH1A1MAOBHDAC8ERN1TUBB1
SCHEMBL2352641 0.80 ALDH1A1 (0.65) ALDH1A1MAOBERN1TRIM24TYR
SCHEMBL3905573 0.79 ALDH1A1 (0.69) ALDH1A1MAOBERN1TRIM24TYR
SCHEMBL28537367 0.79 ALDH1A1 (0.59) ALDH1A1MAOBHDAC8ERN1TRIM24
SCHEMBL4064858 0.77 ALDH1A1 (0.51) ALDH1A1MAOBHDAC8ERN1HPGD

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-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
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 ALDH1A1 212/4885MAOB 2436/4885HDAC8 789/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 ALDH1A1 118/4885MAOB 2145/4885HDAC8 663/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 ALDH1A1 212/4885MAOB 2436/4885HDAC8 789/4885

“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.