SCHEMBL416498

SCHEMBL416498

CCCOc1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.56
DRD1 P21728 1/20 0.56
SLC13A5 Q86YT5 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
FDFT1 P37268 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
BACE1 P56817 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
CTSA P10619 1/20 0.42
CYP2C9 P11712 2/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL13618270 0.93 DRD1 (0.55) ERN1DRD1RXRARXRBMAPT
SCHEMBL14195860 0.91 DRD1 (0.54) ERN1DRD1RXRARXRBMAPT
SCHEMBL13617789 0.90 TSHR (0.52) ERN1DRD1MAPTALDH1A1LMNA
SCHEMBL13617907 0.90 TSHR (0.52) ERN1DRD1MAPTALDH1A1LMNA
SCHEMBL17157579 0.88 RXRA (0.61) DRD1SLC13A5RXRARXRBKDM4E
SCHEMBL198917 0.83 KDM4E (0.59) ERN1SLC13A5RXRARXRBKMT2A
SCHEMBL13536784 0.83 DRD1 (0.51) ERN1DRD1RXRARXRBFDFT1
SCHEMBL910596 0.82 MAOA (0.58) ERN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29955687 0.82 MAOA (0.58) ERN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL15473215 0.82 KMT2A (0.57) ERN1SLC13A5RXRARXRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP ERN1 2954/4885DRD1 4700/4885SLC13A5 4204/4885

“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.