SCHEMBL163215

SCHEMBL163215

CC(C)COC(=O)n1cccc1[O]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.48
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
JMJD6 Q6NYC1 1/20 0.35
GAA P10253 1/20 0.34
CYP26A1 O43174 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL163149 0.82 LPO (0.47) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL164228 0.75 BCHE (0.51) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL15204521 0.75 MAPT (0.38) ALDH1A1TSHRHPGDKMT2AMAPT
SCHEMBL159377 0.72 P2RX4 (0.40) P2RX4ALDH1A1TSHRHPGDMEN1
SCHEMBL162880 0.69 KMT2A (0.58) P2RX4ALDH1A1TSHRHPGDMEN1
SCHEMBL8083508 0.68 P2RX4 (0.46) P2RX4ALDH1A1TSHRHPGDMEN1
SCHEMBL29145136 0.68 ALDH1A1 (0.52) P2RX4ALDH1A1TSHRHPGDMEN1
SCHEMBL8083506 0.68 P2RX4 (0.46) P2RX4ALDH1A1TSHRHPGDMEN1
SCHEMBL15614511 0.68 LPO (0.44) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL162353 0.67 BCHE (0.46) P2RX4ALDH1A1TSHRMEN1KMT2A

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 P2RX4 2210/4885ALDH1A1 1667/4885TSHR 4862/4885

“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.