SCHEMBL2844283

SCHEMBL2844283

c1ccc(OCCCOCCCOc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.75
TAAR1 Q96RJ0 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RECQL P46063 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
LTA4H P09960 3/20 0.56
HTR1B P28222 2/20 0.56

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
SCHEMBL9011603 0.95 KCNA3 (0.84) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL14097361 0.95 KCNA3 (0.84) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1025 0.92 KCNA3 (0.88) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5175295 0.89 KCNA3 (0.60) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL22266160 0.89 KCNA3 (0.60) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL11420388 0.89 KCNA3 (0.60) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL972461 0.89 ALDH1A1 (0.65) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL10390291 0.89 ALDH1A1 (0.72) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5173415 0.89 ALDH1A1 (0.65) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL3369424 0.89 LTA4H (0.62) KCNA3TAAR1ALDH1A1RECQLHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
CN-101679343-B Synthesis of cyclic carbonates in the presence of dimeric aluminium (salen) catalysts UNIV NEWCASTLE 2014-06-18 CN disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 US disclosed
CN-101679343-A Synthesis of cyclic carbonates in the presence of dimeric aluminium (salen) catalysts UNIV NEWCASTLE 2010-03-24 CN disclosed
EP-2146977-A1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS University Of Newcastle-Upon Tyne (GB) 2010-01-27 EP disclosed
WO-2008132474-A1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2008-11-06 WO disclosed
US-20030229113-A1 Keratinocyte growth inhibitors and hydroxamic acid derivatives AKZO NOBEL N.V. (NL) 2003-12-11 US disclosed
EP-0025528-B1 1-(2-ACETYLPHENYLTHIO)-3-ALKYLAMINO-2-PROPANOLS AND THEIR ACID-ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1982-12-29 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-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES CA2, SCO2, CA7 KCNA3 3304/4885TAAR1 3397/4885ALDH1A1 3403/4885
US-20030229113-A1 Keratinocyte growth inhibitors and hydroxamic acid derivatives FGF1, FGF2, EGFR KCNA3 2951/4885TAAR1 4113/4885ALDH1A1 2165/4885

“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.