SCHEMBL5652285

SCHEMBL5652285

O=C(O)C(CCc1ccccc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.52
TAAR1 Q96RJ0 2/20 0.51
EPHX2 P34913 6/20 0.49
EPHX1 P07099 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7539729 0.91 EPHX2 (0.54) L3MBTL1HTTTAAR1EPHX2EPHX1
SCHEMBL7380729 0.84 ACE (0.49) L3MBTL1HTTTAAR1EPHX2EPHX1
SCHEMBL27536629 0.84 CPN1 (0.53) L3MBTL1
SCHEMBL4288039 0.83 L3MBTL1 (0.52) L3MBTL1HTTTAAR1EPHX2EPHX1
SCHEMBL27495306 0.83 CYP2C9 (0.61) TAAR1EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL31748828 0.81 POLB (0.49) HTTSMN1; SMN2CYP2C9CYP2C19HIF1A
SCHEMBL4564333 0.78 HTT (0.50) L3MBTL1HTTTAAR1EPHX2EPHX1
SCHEMBL8638018 0.78 CYP2C9 (0.55) CYP2C9CYP2C19HIF1A
SCHEMBL28382959 0.78 TAAR1 (0.46) HTTTAAR1EPHX2EPHX1NPC1
SCHEMBL7382520 0.78 MME (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
WO-2016046390-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-03-31 WO disclosed
US-7301045-B2 Method for preparing ester condensate JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
EP-1334960-B1 METHOD FOR PREPARING ESTER CONDENSATE JAPAN SCIENCE & TECH AGENCY (JP) 2006-10-11 EP disclosed
US-20040015005-A1 Process for producing esterificated condensate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-01-22 US disclosed
EP-1334960-A1 PROCESS FOR PRODUCING ESTERIFICATED CONDENSATE Japan Science and Technology Corporation (JP) 2003-08-13 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 (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-20040015005-A1 Process for producing esterificated condensate HACL2, ADH5, ADH1C L3MBTL1 4442/4885HTT 483/4885TAAR1 977/4885

“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.