SCHEMBL12876370

SCHEMBL12876370

CC(C)C(=O)c1ccc2c(c1)OCCCO2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA7 P36544 1/20 0.49

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
SCHEMBL13595550 0.97 RAB9A (0.55) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL13595551 0.93 TSHR (0.61) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL11629969 0.88 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27312616 0.83 CTNNB1 (0.57) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL20364677 0.83 CTNNB1 (0.50) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL3735582 0.81 KDM4E (0.77) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL28474294 0.80 TSHR (0.57) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL10716391 0.79 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3064183 0.79 ALDH1A1 (0.72) RAB9ANPC1ALDH1A1HPGDTSHR
SCHEMBL11191099 0.79 TAS1R3 (0.59) RAB9ANPC1TSHRKDM4E

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-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 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 (2 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 RAB9A 272/4885NPC1 7/4885ALDH1A1 692/4885
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 RAB9A 4072/4885NPC1 65/4885ALDH1A1 741/4885

“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.