SCHEMBL1650451

SCHEMBL1650451

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TRPV1 Q8NER1 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ PTGS2 P35354 5/20 0.49
▸ CYP1A1 P04798 3/20 0.49
▸ CYP1B1 Q16678 3/20 0.49
▸ TTR P02766 2/20 0.49
▸ ALOX5 P09917 2/20 0.49
▸ NQO2 P16083 6/20 0.46
▸ PTGS1 P23219 4/20 0.46
▸ ABL1 P00519 3/20 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
SCHEMBL1650706 0.92 NQO2 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1650710 0.92 NQO2 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1650904 0.89 NQO2 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1650240 0.88 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1652049 0.86 NQO2 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1654001 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1651127 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1650634 0.80 NQO2 (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1650636 0.80 NQO2 (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1653896 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 3549/4885KMT2A 1759/4885ALDH1A1 990/4885
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 MEN1 2664/4885KMT2A 1847/4885ALDH1A1 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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