SCHEMBL162429

SCHEMBL162429

CC(C)OC(=O)c1ccccc1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDK2 Q15119 1/20 0.46
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL137907 0.87 NPC1 (0.62) NPC1CA12CA1CA2CA7
SCHEMBL20450034 0.84 NPC1 (0.56) NPC1CA12CA1CA2CA7
SCHEMBL8878921 0.82 NPC1 (0.54) NPC1CA12CA1CA2CA7
SCHEMBL15204568 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRKMT2AL3MBTL1
SCHEMBL22164112 0.82 NPC1 (0.57) NPC1CA12CA1CA2CA7
SCHEMBL10811253 0.81 NPC1 (0.53) NPC1CA12CA1CA2CA7
SCHEMBL11281802 0.80 NPC1 (0.56) NPC1CA12CA1CA2CA7
SCHEMBL277670 0.80 NPC1 (0.56) NPC1CA12CA1CA2CA7
SCHEMBL30788746 0.80 ALDH1A1 (0.58) NPC1CA12CA1CA2CA7
SCHEMBL301544 0.80 ALDH1A1 (0.58) NPC1CA12CA1CA2CA7

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 NPC1 1201/4885CA12 4471/4885CA1 2770/4885

“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.