SCHEMBL1650690

SCHEMBL1650690

COc1cc(/C=C(/O/C(=C/c2cc(OC)cc(OC)c2)c2cccc(C)c2)c2cccc(C)c2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 6/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ RELA Q04206 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ KCNK3 O14649 2/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ PTGS1 P23219 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39

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
SCHEMBL1650692 1.00 NQO2 (0.46) NQO2NPC1RAB9AATMACHE
SCHEMBL1654001 0.93 MEN1 (0.47) NQO2NPC1RAB9AATMACHE
SCHEMBL1651475 0.88 PDE4A (0.51) NQO2NPC1RAB9AABL1BCR
SCHEMBL1651473 0.88 PDE4A (0.51) NQO2NPC1RAB9AABL1BCR
SCHEMBL1650706 0.84 NQO2 (0.51) NQO2NPC1RAB9AABL1BCR
SCHEMBL1650710 0.84 NQO2 (0.51) NQO2NPC1RAB9AABL1BCR
SCHEMBL1651028 0.83 NQO2 (0.54) NQO2NPC1RAB9AACHERELA
SCHEMBL1651030 0.83 NQO2 (0.54) NQO2NPC1RAB9AACHERELA
SCHEMBL1650240 0.81 MEN1 (0.49) NQO2NPC1RAB9AABL1BCR
SCHEMBL1650634 0.79 NQO2 (0.67) NQO2NPC1RAB9AABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 — — US disclosed
US-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species MONTE AARON P 2011-04-21 — — US disclosed
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE WISYS TECHNOLOGY FOUNDATION 2007-12-20 — — 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-20110092578-A1 Broad Spectrum Gram-Positive Antimicrobials and Anthelmintics with Efficacy Against Drug-Resistant Strains and Mycobacterium Species ABCC1, H1-3, H1-2 NQO2 91/4885NPC1 2517/4885RAB9A 3565/4885
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 NQO2 28/4885NPC1 1466/4885RAB9A 2194/4885

“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.

Send feedback