SCHEMBL18500643

SCHEMBL18500643

CCCCOC(=O)C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GPR119 Q8TDV5 2/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
EPHX2 P34913 1/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 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
SCHEMBL15928440 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2CYP2C19TP53
SCHEMBL5618 0.84 CYP3A4 (0.49) ALDH1A1MAPK1SMN1; SMN2CYP2C19TP53
SCHEMBL20625156 0.82 KMT2A (0.38) ALDH1A1GPR119MAPK1SMN1; SMN2CYP2C19
SCHEMBL880078 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2PPM1BPTPN1
SCHEMBL812979 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBPPM1B
SCHEMBL813357 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBPPM1B
SCHEMBL552606 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBPPM1B
SCHEMBL526157 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBPPM1B
SCHEMBL16771851 0.79 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2LMNAPOLB
SCHEMBL5353054 0.79 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBPPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US 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-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 ALDH1A1 3403/4885GPR119 49/4885MAPK1 706/4885

“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.