SCHEMBL166312

SCHEMBL166312

COC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
KIF11 P52732 1/20 0.46
FTO Q9C0B1 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LCK P06239 1/20 0.43
PARP1 P09874 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL7787516 0.85 FTO (0.55) ALDH1A1HPGDMAPTKIF11FTO
SCHEMBL29112074 0.85 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKIF11FTO
SCHEMBL164762 0.84 NPC1 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL163117 0.84 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL163764 0.84 KDM4E (0.50) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL161775 0.84 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKIF11FTO
SCHEMBL163276 0.83 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL2527811 0.83 KIF11 (0.56) ALDH1A1HPGDMAPTKIF11TSHR
SCHEMBL7936413 0.82 KIF11 (0.55) ALDH1A1HPGDMAPTKIF11TSHR
SCHEMBL164557 0.82 LMNA (0.51) ALDH1A1HPGDMAPTTSHRKMT2A

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 2718/4885MAPT 261/4885

“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.