SCHEMBL6139432

SCHEMBL6139432

O=C1CC=CC=C1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
HPGD P15428 1/20 0.44
MMP1 P03956 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ELANE P08246 1/20 0.41

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
SCHEMBL277725 0.79 TSHR (0.34) TDP1SLC6A2ALDH1A1LMNAMAPT
SCHEMBL11206256 0.78 TDP1 (0.39) TDP1KMT2AALDH1A1LMNAMAPT
SCHEMBL5153493 0.78 TSHR (0.40) KMT2AALDH1A1LMNAMAPTL3MBTL1
SCHEMBL28684459 0.75 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL10897416 0.73 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3911174 0.73 CRHBP (0.31)
SCHEMBL6433950 0.73 CYP3A4 (0.44) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL10530815 0.73 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7767135 0.72 CRHBP (0.42) TDP1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL453283 0.72 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57167295-A None JP disclosed
EP-1285579-B1 Bactericidal guanidine derivatives, dermally applicable composition, washing composition, and antibacterial fibre aggregate AJINOMOTO KK (JP) 2005-11-02 EP disclosed
US-20030162838-A1 Bactericide, antiseptic, dermally applicable composition, washing composition, antibacterial fiber aggregate, method for eradicating a microorganism, and method for inhibiting the proliferation of a microorgamism AJINOMOTO CO., INC. (JP) 2003-08-28 US disclosed
EP-1285579-A1 Bactericidal guanidine derivatives, dermally applicable composition, washing composition, and antibacterial fibre aggregate Ajinomoto Co., Inc. (JP) 2003-02-26 EP disclosed
JP-S57167295-A HEAT-SENSITIVE RECORDING MATERIAL RICOH CO LTD 1982-10-15 JP 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-20030162838-A1 Bactericide, antiseptic, dermally applicable composition, washing composition, antibacterial fiber aggregate, method for eradicating a microorganism, and method for inhibiting the proliferation of a microorgamism ARG1, ALKBH1, GANC TDP1 240/4885KMT2A 4271/4885SLC6A2 3512/4885

“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.