SCHEMBL164374

SCHEMBL164374

CC(C)COC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
GAA P10253 3/20 0.38

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
SCHEMBL162635 0.87 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT
SCHEMBL162383 0.85 TSHR (0.53) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT
SCHEMBL160612 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT
SCHEMBL164007 0.82 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ETDP1TP53
SCHEMBL158983 0.82 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL10793872 0.81 ALDH1A1 (0.73) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT
SCHEMBL161343 0.80 L3MBTL1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL163609 0.80 TSHR (0.57) ALDH1A1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL165293 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL2738455 0.77 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ESMN1; SMN2MAPT

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 4862/4885KDM4E 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.