SCHEMBL2706424

SCHEMBL2706424

O=C(OCc1ccccc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
ALDH1A1 P00352 6/20 0.53
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 5/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 4/20 0.50
NR4A2 P43354 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL20664990 0.91 TDP1 (0.60) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL2704297 0.88 TDP1 (0.66) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL4955275 0.85 NPC1 (0.55) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL20022964 0.85 SLC6A2 (0.58) RAB9ACES2CES1ALDH1A1MAPT
SCHEMBL20022959 0.85 KMT2A (0.53) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL20910574 0.83 MAOB (0.61) RAB9AALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2707002 0.83 LMNA (0.51) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL21187890 0.83 RAB9A (0.54) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL19557326 0.83 CES2 (0.56) NPC1RAB9ACES2CES1ALDH1A1
SCHEMBL2705832 0.83 KMT2A (0.76) NPC1RAB9AALDH1A1MAPTL3MBTL1

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
EP-2609067-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER Sumitomo Chemical Co., Ltd (JP) 2013-07-03 EP disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
CN-103080064-A Process for producing carboxylic acid ester SUMITOMO CHEMICAL CO 2013-05-01 CN disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 WO disclosed
WO-2012026617-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 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-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C NPC1 3528/4885RAB9A 3180/4885CES2 120/4885

“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.