SCHEMBL1786814

SCHEMBL1786814

COC1=C(OC)C(=O)C(C(=O)NCCc2ccccc2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
NPC1 O15118 11/20 0.52
RAB9A P51151 11/20 0.52
PKM P14618 1/20 0.49
KLF5 Q13887 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL1784387 0.76 IDO1 (0.56) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL5731622 0.74 KDM4E (0.51) TAAR1MAPTLMNAHPGDPOLB
SCHEMBL5731531 0.73 MMP1 (0.58) MAPTLMNAALDH1A1HPGDPOLB
SCHEMBL5731787 0.73 MMP1 (0.58) MAPTLMNAALDH1A1HPGDPOLB
SCHEMBL7705937 0.71 ALDH1A1 (0.76) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL5156747 0.71 TAAR1 (0.74) TAAR1NPC1RAB9AGAAMAPT
SCHEMBL2095490 0.71 TAAR1 (0.69) TAAR1NPC1RAB9AGAAMAPT
Phenethylcarbamic Acid SCHEMBL249525 0.70 CA12 (0.68) TAAR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7272416 0.70 MGLL (0.74) TAAR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17822187 0.69 NPC1 (0.81) TAAR1NPC1RAB9AMAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US 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 (2 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 TAAR1 4380/4885NPC1 1018/4885RAB9A 1059/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 TAAR1 4380/4885NPC1 1018/4885RAB9A 1059/4885

“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.