SCHEMBL162792

SCHEMBL162792

COC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
BCL2L1 Q07817 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
PSMD14 O00487 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
PLAU P00749 2/20 0.42
LCK P06239 1/20 0.42
HPGD P15428 2/20 0.41
KIF11 P52732 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
SCHEMBL161775 0.87 ALDH1A1 (0.50) TSHRCA1CA2CA12CA7
SCHEMBL160305 0.83 CA12 (0.50) TSHRCA1CA2CA12CA7
SCHEMBL163995 0.83 ABCG2 (0.38) TSHRCA1CA2CA12CA9
SCHEMBL163819 0.83 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL161660 0.81 LMNA (0.54) TSHRCA1CA2CA12CA7
SCHEMBL163477 0.81 PLK1 (0.44) TSHRHTTALDH1A1KDM4EPSMD14
SCHEMBL165080 0.80 BRD4 (0.43) TSHRALOX15ALDH1A1NPSR1MEN1
SCHEMBL163231 0.80 ALDH1A1 (0.49) TSHRHTTALDH1A1KDM4ENPSR1
SCHEMBL162926 0.80 MEN1 (0.48) TSHRCA1CA2CA12CA7
SCHEMBL162600 0.79 ESR1 (0.50) TSHRALDH1A1LMNATDP1L3MBTL1

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 TSHR 4862/4885CA1 2770/4885CA2 2000/4885

“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.