SCHEMBL165293

SCHEMBL165293

COC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 3/20 0.51
SLC6A3 Q01959 3/20 0.51
SLC6A2 P23975 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC6A4 P31645 1/20 0.51
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPL P40238 1/20 0.42
ALOX12 P18054 1/20 0.41
POLB P06746 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
SCHEMBL161927 0.85 MAPT (0.52) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL3679271 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL158983 0.83 KDM4E (0.48) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL162383 0.83 TSHR (0.53) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL163512 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL15653347 0.83 KDM4E (0.56) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL28875087 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL1164706 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL27404691 0.81 KDM4E (0.50) ALDH1A1KDM4EHPGDSLC6A3SLC6A2
SCHEMBL164007 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNATSHRHSD17B10

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 1667/4885KDM4E 2214/4885HPGD 2718/4885

“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.