SCHEMBL2960713

SCHEMBL2960713

CCCCn1ccnc1OC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
TLR8 Q9NR97 2/20 0.46
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL17395241 0.90 KMT2A (0.40) ALDH1A1KMT2APOLBTLR8AGTR1
SCHEMBL17395232 0.83 ALDH1A1 (0.34) ALDH1A1KMT2APOLBTLR8AGTR1
SCHEMBL893369 0.80 ALDH1A1 (0.59) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL1829325 0.77 ALDH1A1 (0.53) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL3171422 0.76 ALDH1A1 (0.51) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL10352847 0.76 TLR8 (0.61) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL5657514 0.75 ALDH1A1 (0.58) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL11050657 0.74 ALDH1A1 (0.57) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL28837797 0.73 TLR8 (0.57) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL114012 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164527-A1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2017-05-10 EP disclosed
WO-2016001436-A1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2016-01-07 WO disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-0181078-B2 Process for the preparation of formic acid BP CHEM INT LTD (GB) 1994-09-14 EP disclosed
EP-0181078-B1 PROCESS FOR THE PREPARATION OF FORMIC ACID BP Chemicals Limited (GB) 1989-10-18 EP disclosed
US-4855496-A Process for the preparation of formic acid BP CHEMICALS LIMITED (GB) 1989-08-08 US disclosed
EP-0181078-A1 Process for the preparation of formic acid BP Chemicals Limited (GB) 1986-05-14 EP disclosed
WO-1986002066-A1 PROCESS FOR THE PREPARATION OF FORMIC ACID BP CHEMICALS LIMITED (GB) 1986-04-10 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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B ALDH1A1 4228/4885KMT2A 1005/4885POLB 134/4885

“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.