SCHEMBL162809

SCHEMBL162809

CC(C)COC(=O)c1cc([O])c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
CACNA1F O60840 4/20 0.36
CACNA1D Q01668 4/20 0.36
CACNA1S Q13698 4/20 0.36
CACNA1C Q13936 4/20 0.36
GPR35 Q9HC97 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL162674 0.81 GABRP (0.50) ALDH1A1TSHRKDM4EBAZ2BBAZ2A
SCHEMBL164496 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1KDM4EBAZ2B
SCHEMBL161604 0.77 KDM4E (0.45) ALDH1A1KDM4EBAZ2BBAZ2AL3MBTL1
SCHEMBL166187 0.75 ALDH1A1 (0.43) ALDH1A1TSHRTDP1KDM4EBAZ2B
SCHEMBL159942 0.75 GPR84 (0.48) TSHRTDP1L3MBTL1
SCHEMBL162449 0.74 BAZ2B (0.56) ALDH1A1KDM4EBAZ2BBAZ2A
SCHEMBL162195 0.70 ALDH1A1 (0.38) ALDH1A1BAZ2BBAZ2AGABRPGABRD
SCHEMBL161465 0.70 ADORA3 (0.43) ALDH1A1KDM4E
SCHEMBL6580266 0.70 ALDH1A1 (0.59) ALDH1A1TSHRTDP1KDM4EGPR35
SCHEMBL827863 0.70 TSHR (0.70) ALDH1A1TSHRTDP1KDM4ECACNA1F

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 1667/4885TSHR 4862/4885TDP1 56/4885

“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.