SCHEMBL164598

SCHEMBL164598

CC(C)NC(=O)c1ccoc1[O]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MLYCD O95822 1/20 0.39
MAPK1 P28482 1/20 0.38
ESR2 Q92731 1/20 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
SCHEMBL162769 0.83 MEN1 (0.55) HPGDMAOAMAOBTSHRUSP2
SCHEMBL13753401 0.81 HPGD (0.71) HPGDPOLBHSD17B10TSHRUSP2
SCHEMBL166344 0.79 GAA (0.42) HPGDPOLBTSHRALDH1A1NPC1
SCHEMBL2187714 0.75 L3MBTL1 (0.46) HPGDALOX5POLBHSD17B10TSHR
SCHEMBL165259 0.75 HSD17B10 (0.44) HPGDPOLBHSD17B10TSHRALDH1A1
SCHEMBL163478 0.74 POLB (0.45) HPGDPOLBMAOAMAOBTSHR
SCHEMBL163351 0.74 CYP2C19 (0.50) HPGDPOLBTSHRUSP2ALDH1A1
SCHEMBL162309 0.74 CA12 (0.46) HPGDPOLBHSD17B10TSHRUSP2
SCHEMBL161521 0.71 ALDH1A1 (0.55) HPGDPOLBHSD17B10MAOBTSHR
SCHEMBL13753382 0.70 KDM4E (0.57) HPGDTSHRALDH1A1NPC1RAB9A

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 HPGD 2718/4885ALOX5 515/4885POLB 690/4885

“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.