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Sugi Predict / Compounds / SCHEMBL1959253

SCHEMBL1959253

SCHEMBL1959253

C/C(=C(/CC(=O)O)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ OGG1 O15527 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1959256 1.00 HAO1 (0.45) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL1959255 1.00 HAO1 (0.45) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL1960680 0.85 MEN1 (0.41) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL1960678 0.85 MEN1 (0.41) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL6497142 0.84 HTT (0.46) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL6497138 0.84 HTT (0.46) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL9359438 0.83 MEN1 (0.45) CYP1A2POLBCES2CES1SMN1; SMN2
SCHEMBL10743838 0.79 CA1 (0.52) CES2CES1GSK3BNPC1RAB9A
SCHEMBL6500045 0.77 CES2 (0.52) HAO1CYP1A2OGG1POLBCTDSP1
SCHEMBL6500044 0.77 CES2 (0.52) HAO1CYP1A2OGG1POLBCTDSP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689317-B2 Methods of making fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2020-06-23 — — US disclosed
CN-103347877-B Process for producing fused ring compound 光学转变公司 2018-06-29 — — CN disclosed
US-20180148396-A1 Methods of Making Fused Ring Compounds TRANSITIONS OPTICAL, INC. 2018-05-31 — — US disclosed
US-9878971-B2 Methods of making fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2018-01-30 — — US disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 — — EP disclosed
US-20170050909-A1 Methods of Making Fused Ring Compounds TRANSITIONS OPTICAL, INC. 2017-02-23 — — US disclosed
US-9487499-B2 Methods of making fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-11-08 — — US disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 — — US disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 — — EP disclosed
US-20150336922-A1 Methods Of Making Fused Ring Compounds TRANSITIONS OPTICAL LIMITED (IE) 2015-11-26 — — US disclosed
EP-2651913-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES Transitions Optical, Inc. (US) 2013-10-23 — — EP disclosed
CN-103339564-A Photochromic compounds and compositions TRANSITIONS OPTICAL INC 2013-10-02 — — CN disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 — — US disclosed
CN-103328462-A Indeno-fused ring compounds TRANSITIONS OPTICAL INC 2013-09-25 — — CN disclosed
US-20120157678-A1 METHODS OF MAKING FUSED RING COMPOUNDS TRANSITIONS OPTICAL INC. (US) 2012-06-21 — — US disclosed
WO-2012082560-A1 METHODS OF MAKING FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
WO-2012082381-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 — — US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 — — US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 — — 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 (8 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-10689317-B2 Methods of making fused ring compounds CYP2B6, CYP2A6, INTS6 HAO1 431/4885CYP1A2 6/4885OGG1 816/4885
US-20180148396-A1 Methods of Making Fused Ring Compounds CYP2B6, CYP2A6, INTS6 HAO1 431/4885CYP1A2 6/4885OGG1 816/4885
US-20170050909-A1 Methods of Making Fused Ring Compounds CYP2B6, CYP2A6, INTS6 HAO1 431/4885CYP1A2 6/4885OGG1 816/4885
US-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 HAO1 2953/4885CYP1A2 86/4885OGG1 1793/4885
US-20150336922-A1 Methods Of Making Fused Ring Compounds CYP2B6, CYP2A6, INTS6 HAO1 431/4885CYP1A2 6/4885OGG1 816/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX HAO1 355/4885CYP1A2 139/4885OGG1 147/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 HAO1 2953/4885CYP1A2 86/4885OGG1 1793/4885
US-20120157678-A1 METHODS OF MAKING FUSED RING COMPOUNDS CYP2B6, CYP2A6, INTS6 HAO1 431/4885CYP1A2 6/4885OGG1 816/4885

“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.