SCHEMBL7990865

SCHEMBL7990865

C=CCCC(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
EPHX2 P34913 5/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
FAAH O00519 2/20 0.55
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL15110777 0.89 MEN1 (0.73) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL12832764 0.87 MEN1 (0.76) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL10005866 0.85 SELL (0.56) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL10040169 0.84 MEP1B (0.51) GAAMEN1KMT2AALDH1A1
SCHEMBL29257176 0.82 GAA (0.59) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL7993193 0.82 MAPT (0.69) GAAKMT2AHTTCYP3A4CYP2C19
SCHEMBL27081253 0.82 TRPV1 (0.47) GAAMEN1KMT2ATRPV1
SCHEMBL15573824 0.81 GAA (0.64) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL1416060 0.80 GAA (0.72) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL15796309 0.80 CNR1 (0.61) GAAMEN1KMT2AALDH1A1TSHR

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
CN-115417782-B Chain walking type olefin transfer hydrogenation or hydrogen deuteration reduction method 江苏科技大学 2024-04-26 CN disclosed
CN-115417782-A Chain walking type olefin transfer hydrogenation or hydrogen deuteration reduction method 江苏科技大学 2022-12-02 CN disclosed
US-8822720-B2 Method for the organocatalytic activation of carboxylic acids for chemical, reactions using orthosubstituted arylboronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-09-02 US disclosed
US-8822720-B2 Method for the organocatalytic activation of carboxylic acids for chemical, reactions using orthosubstituted arylboronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2014-09-02 US disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
US-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-08-05 US disclosed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 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-20100197960-A1 METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS AOC2, AOC3, OXER1 GAA 850/4885MEN1 2604/4885KMT2A 2937/4885

“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.