SCHEMBL9397404

SCHEMBL9397404

C[n+]1c2ccccc2c(C(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.53
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE10A Q9Y233 2/20 0.42
EGFR P00533 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8997331 0.88 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8997349 0.88 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10695794 0.85 LMNA (0.47) ACHEKDM4EMEN1ALDH1A1CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL8332152 0.84 ACHE (0.41) ACHEKDM4EMEN1ALDH1A1CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL8332157 0.84 ACHE (0.41) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6649021 0.83 ACHE (0.52) ACHEKDM4EALDH1A1HSD17B10EGFR
SCHEMBL13433227 0.83 KDM4E (0.40) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31163696 0.82 ACHE (0.50) ACHE
SCHEMBL8495949 0.82 ACHE (0.50) ACHE
SCHEMBL7024186 0.82 ACHE (0.50) ACHEALDH1A1

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
WO-1994028420-A1 METHOD OF DETECTION OF BACTERIA RHONE POULENC DIAGNOSTICS LTD (GB) 1994-12-08 WO claimed
US-20100317877-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
EP-1651958-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2010-06-16 EP disclosed
US-7563902-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-07-21 US disclosed
US-7262306-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-08-28 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-20100317877-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO ACHE 447/4885KDM4E 1890/4885MEN1 3432/4885

“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.