SCHEMBL161775

SCHEMBL161775

COC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LCK P06239 1/20 0.47
KIF11 P52732 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
PSMD14 O00487 1/20 0.46
FTO Q9C0B1 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL162792 0.87 TSHR (0.47) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL166312 0.84 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL12419947 0.83 HPGD (0.48) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL13104720 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL161776 0.83 LMNA (0.56) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL15936293 0.83 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL163864 0.82 CA12 (0.53) ALDH1A1KDM4ETSHRCA12CA1
SCHEMBL161257 0.82 CA12 (0.53) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL162581 0.82 ABCG2 (0.42) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL18288014 0.81 HPGD (0.53) ALDH1A1HPGDKDM4ETSHRNPSR1

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
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885HPGD 2718/4885KDM4E 2214/4885

“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.