SCHEMBL1650904

SCHEMBL1650904

COc1ccc(/C(=C\c2cc(O)cc(OC)c2)O/C(=C/c2cc(O)cc(OC)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 9/20 0.59
▸ PTGS2 P35354 5/20 0.59
▸ PTGS1 P23219 3/20 0.59
▸ CYP1A1 P04798 5/20 0.50
▸ CYP1B1 Q16678 5/20 0.50
▸ TTR P02766 3/20 0.50
▸ ALOX5 P09917 3/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL1650636 0.92 NQO2 (0.67) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1650634 0.92 NQO2 (0.67) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1652049 0.91 NQO2 (0.49) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1650451 0.89 MEN1 (0.59) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1650240 0.83 MEN1 (0.49) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1651030 0.82 NQO2 (0.54) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1651028 0.82 NQO2 (0.54) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1654001 0.81 MEN1 (0.47) NQO2PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1650706 0.80 NQO2 (0.51) NQO2PTGS1CYP1A1CYP1B1KDM4E
SCHEMBL1650710 0.80 NQO2 (0.51) NQO2PTGS1CYP1A1CYP1B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112881-B2 Skin lightening compounds WISYS TECHNOLOGY FOUNDATION, INC. (US) 2018-10-30 — — US disclosed
US-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds WISYS TECHNOLOGY FOUNDATION, INC. 2017-11-30 — — US disclosed
US-20170197897-A1 Skin Lightening Compounds WISYS TECH FOUND INC (US) 2017-07-13 — — US disclosed
WO-2016014529-A1 SKIN LIGHTENING COMPOUNDS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2016-01-28 — — WO disclosed
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 (5 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-20170342047-A1 Cancerous Cell Growth Inhibiting Compounds TYR, MKI67, MC1R NQO2 224/4885PTGS2 284/4885PTGS1 203/4885
US-10112881-B2 Skin lightening compounds TYR, MC1R, MCHR1 NQO2 202/4885PTGS2 1158/4885PTGS1 508/4885
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 91/4885PTGS2 630/4885PTGS1 681/4885
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 NQO2 28/4885PTGS2 1061/4885PTGS1 318/4885
US-20170197897-A1 Skin Lightening Compounds TYR, MC1R, MCHR1 NQO2 707/4885PTGS2 524/4885PTGS1 540/4885

“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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