SCHEMBL11079971

SCHEMBL11079971

NC(=O)c1cocc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.37
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCAT2 O15382 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9635193 0.89 METAP2 (0.42) METAP2ALDH1A1BCAT2MAPTKDM4E
SCHEMBL36897 0.87 ALDH1A1 (0.45) LDHAALDH1A1ALOX15CYP1A2MAPT
Hydrochloric Acid SCHEMBL7231265 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2MAPT
Hydrochloric Acid SCHEMBL11203129 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2MAPT
SCHEMBL11574505 0.84 ALDH1A1 (0.43) LDHAALDH1A1ALOX15CYP1A2MAPT
SCHEMBL29048847 0.78 MAPT (0.48) ALDH1A1ALOX15CYP1A2MAPTKDM4E
Ethylene Glycol SCHEMBL25435561 0.77 LDHA (0.38) LDHAALDH1A1ALOX15CYP1A2KDM4E
Phthalic Acid SCHEMBL5690459 0.75 ALDH1A1 (0.70) ALDH1A1ALOX15CYP1A2MAPTKDM4E
SCHEMBL638220 0.75
Butane SCHEMBL3012832 0.75 LDHA (0.37) LDHAALDH1A1ALOX15CYP1A2KDM4E

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-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US disclosed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US disclosed
US-4452789-A CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM KG (DE) 1984-06-05 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-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides NSUN2, NSUN3, NCL LDHA 3679/4885METAP2 1568/4885ALDH1A1 2943/4885

“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.