SCHEMBL1650706

SCHEMBL1650706

COc1cc(/C=C(/O/C(=C/c2cc(OC)cc(OC)c2)c2ccccc2)c2ccccc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 7/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ABL1 P00519 2/20 0.45
▸ BCR P11274 2/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL1650710 1.00 NQO2 (0.51) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1650451 0.92 MEN1 (0.59) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1650634 0.88 NQO2 (0.67) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1650636 0.88 NQO2 (0.67) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1651475 0.87 PDE4A (0.51) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1651473 0.87 PDE4A (0.51) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1653550 0.86 PDE4A (0.47) NQO2MEN1ALDH1A1KMT2APDE4A
SCHEMBL1651028 0.85 NQO2 (0.54) NQO2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL1651030 0.85 NQO2 (0.54) NQO2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL1650690 0.84 NQO2 (0.46) NQO2MEN1ALDH1A1KMT2APDE4A

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 91/4885MEN1 3549/4885ALDH1A1 990/4885
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 NQO2 28/4885MEN1 2664/4885ALDH1A1 660/4885

“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.

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