SCHEMBL2601328

SCHEMBL2601328

O=C(OCc1ccccc1)c1ccc(Cl)cc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.50
CYP2C9 P11712 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DHODH Q02127 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
GCGR P47871 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP1 P03956 1/20 0.45

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
SCHEMBL2706430 0.80 NPC1 (0.63) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6834883 0.79 TDP1 (0.67) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6832242 0.79 TDP1 (0.67) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3912364 0.78 MAOB (0.56) ALDH1A1NPC1RAB9ALTB4RLTB4R2
SCHEMBL7638409 0.78 ALDH1A1 (0.53) CYP2C9ALDH1A1CYP1A2CYP2C19POLB
SCHEMBL2601326 0.78 ALDH1A1 (0.55) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20831012 0.78 ALDH1A1 (0.55) PTGER1CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL1015771 0.78 ALDH1A1 (0.55) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5112581 0.77 MAOB (0.57) PTGER1CYP2C9
SCHEMBL1649274 0.77 PTGER1 (0.62) PTGER1CYP2C9ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 EP disclosed
WO-2010147068-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE 塩野義製薬株式会社 (JP) 2010-12-23 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 (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-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 PTGER1 4251/4885CYP2C9 2331/4885ALDH1A1 1813/4885

“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.