SCHEMBL7643252

SCHEMBL7643252

N#CCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
DAO P14920 1/20 0.48
FFAR1 O14842 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FDFT1 P37268 5/20 0.44
FFAR4 Q5NUL3 1/20 0.43
AKR1C3 P42330 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1745550 0.85 FFAR1 (0.64) MEN1KMT2AFFAR1FFAR4MAOB
SCHEMBL191669 0.82 FFAR1 (0.47) MEN1KMT2ADAOFFAR1TSHR
SCHEMBL30641469 0.82 FFAR1 (0.47) MEN1KMT2ADAOFFAR1TSHR
SCHEMBL11034783 0.81 KDM4E (0.49) DAOFFAR1TSHRHSD17B10KDM4E
SCHEMBL1233549 0.81 MEN1 (0.66) MEN1KMT2A
SCHEMBL21974573 0.79 MEN1 (0.63) MEN1KMT2AFFAR1
SCHEMBL9889464 0.78 ALDH1A1 (0.53) MEN1KMT2AFFAR1ALDH1A1HTT
SCHEMBL7038656 0.77 MEN1 (0.59) MEN1KMT2ADAOFFAR1
SCHEMBL13618845 0.77 MEN1 (0.70) MEN1KMT2AHSD17B10ALDH1A1TDP1
SCHEMBL181108 0.77 MEN1 (0.70) MEN1KMT2AHSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107137387-B Synthetic method of aryl propionic acid non-steroidal anti-inflammatory drug 中国科学技术大学 2020-05-12 CN disclosed
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
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
US-6463963-B1 Acaracidal carpet and method of making the same SHAW INDUSTRIES, INC. 2002-10-15 US disclosed
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 US disclosed
US-4278802-A METHYLTHIO-/P-/2-THIENYLCARBONYL/PHENYL/PROPIONIC ACID OR ESTER, PHARMACEUTICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-07-14 US 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 MEN1 4323/4885KMT2A 4262/4885DAO 2630/4885

“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.