SCHEMBL6236002

SCHEMBL6236002

O=C(O)C1CCCCC1(O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
HPGD P15428 2/20 0.43
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 4/20 0.40
EPHX2 P34913 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 2/20 0.39
TAAR1 Q96RJ0 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5348282 0.78 LMNA (0.50) SLC6A9HPGDEPHX1ALDH1A1TSHR
SCHEMBL11554590 0.78 MAOA (0.43) SLC6A9HPGDEPHX1ALDH1A1TSHR
SCHEMBL11465022 0.76 SLC6A9 (0.45) SLC6A9HPGDEPHX1ALDH1A1TSHR
SCHEMBL31672689 0.74 L3MBTL1 (0.46) HPGDEPHX1ALDH1A1USP2NPC1
SCHEMBL15058811 0.73 HSD11B1 (0.35) EPHX1ALDH1A1TSHRLMNAKDM4E
Cicloxilic Acid SCHEMBL11233561 0.72 CNR2 (0.46) SLC6A9ALDH1A1LMNA
Cicloxilic Acid SCHEMBL866482 0.72 CNR2 (0.46) SLC6A9ALDH1A1LMNA
Cicloxilic Acid SCHEMBL30436810 0.72 CNR2 (0.46) SLC6A9ALDH1A1LMNA
Cicloxilic Acid SCHEMBL866481 0.72 CNR2 (0.46) SLC6A9ALDH1A1LMNA
SCHEMBL10930927 0.72 SLC6A4 (0.52) SLC6A9ALDH1A1SMN1; SMN2

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-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-6753431-B2 REACTING A CARBAMATE DERIVATIVE WITH CARBOXYLIC AND HALOFORMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-06-22 US disclosed
US-20020032346-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL CO., LTD. 2002-03-14 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 EP 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-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 SLC6A9 2563/4885HPGD 2590/4885EPHX1 1620/4885
US-20020032346-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 SLC6A9 2563/4885HPGD 2590/4885EPHX1 1620/4885

“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.