SCHEMBL1650636

SCHEMBL1650636

COc1ccc(C(=Cc2cc(OC)cc(OC)c2)OC(=Cc2cc(OC)cc(OC)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 10/20 0.67
▸ ESR1 P03372 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ CYP1A1 P04798 2/20 0.52
▸ CYP1B1 Q16678 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ TTR P02766 1/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ ALOX5 P09917 1/20 0.52
▸ BCR P11274 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ TUBB4A P04350 1/20 0.52
▸ TUBB P07437 1/20 0.52
▸ TUBA3C P0DPH7 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ TUBA1B P68363 1/20 0.52
▸ TUBA4A P68366 1/20 0.52
▸ TUBB4B P68371 1/20 0.52
▸ TUBB3 Q13509 1/20 0.52

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
SCHEMBL1650634 1.00 NQO2 (0.67) NQO2ESR1PTGS2CYP1A1CYP1B1
SCHEMBL1650904 0.92 NQO2 (0.59) NQO2ESR1PTGS2CYP1A1CYP1B1
SCHEMBL1651028 0.90 NQO2 (0.54) NQO2ESR1PTGS2CYP1A1CYP1B1
SCHEMBL1651030 0.90 NQO2 (0.54) NQO2ESR1PTGS2CYP1A1CYP1B1
SCHEMBL1650706 0.88 NQO2 (0.51) NQO2CYP1A1CYP1B1ABL1ABCB1
SCHEMBL1650710 0.88 NQO2 (0.51) NQO2CYP1A1CYP1B1ABL1ABCB1
SCHEMBL1652049 0.82 NQO2 (0.49) NQO2PTGS2CYP1A1CYP1B1ABL1
SCHEMBL1651473 0.81 PDE4A (0.51) NQO2ABL1BCRALDH1A1PDE4A
SCHEMBL1651475 0.81 PDE4A (0.51) NQO2ABL1BCRALDH1A1PDE4A
SCHEMBL1650451 0.80 MEN1 (0.59) NQO2PTGS2CYP1A1CYP1B1CYP1A2

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 91/4885ESR1 1840/4885PTGS2 630/4885
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 NQO2 28/4885ESR1 1717/4885PTGS2 1061/4885

“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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