SCHEMBL2812687

SCHEMBL2812687

CCOC(=O)c1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.64
▸ MIF P14174 1/20 0.60
▸ PFKFB3 Q16875 1/20 0.60
▸ HSD17B3 P37058 4/20 0.58
▸ ALDH1A1 P00352 7/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ GAA P10253 4/20 0.57
▸ GLA P06280 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ CA12 O43570 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ CASP1 P29466 3/20 0.57
▸ CASP7 P55210 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ MAOB P27338 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ UGT1A1 P22309 1/20 0.57
▸ KDR P35968 1/20 0.57

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
SCHEMBL13231988 0.83 MCL1 (0.55) AKR1B1MIFPFKFB3ALDH1A1KDM4E
SCHEMBL15842563 0.83 KDM4E (0.59) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL741818 0.80 CA12 (0.56) AKR1B1MIFPFKFB3ALDH1A1KDM4E
SCHEMBL13232055 0.80 HSD17B3 (0.61) AKR1B1HSD17B3ALDH1A1KDM4EGAA
SCHEMBL3055094 0.79 HSD17B3 (0.63) AKR1B1MIFHSD17B3ALDH1A1KDM4E
SCHEMBL11329370 0.78 KDM4E (0.43) AKR1B1MIFPFKFB3ALDH1A1KDM4E
SCHEMBL3085227 0.78 MCL1 (0.59) AKR1B1MIFPFKFB3ALDH1A1KDM4E
SCHEMBL4209634 0.78 KDM4E (0.76) AKR1B1HSD17B3ALDH1A1KDM4EGAA
SCHEMBL11502202 0.78 KDM4E (0.67) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL29495537 0.78 AKR1B1 (1.00) AKR1B1MIFPFKFB3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149656-B Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2023-06-09 — — CN claimed
CN-114149656-A Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2022-03-08 — — CN claimed
CN-117590694-A Photosensitive resin composition, photosensitive resist laminate and application thereof 杭州福斯特电子材料有限公司 2024-02-23 — — CN disclosed
CN-114149656-B Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2023-06-09 — — CN disclosed
CN-114149656-B Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2023-06-09 — — CN disclosed
CN-114149656-A Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2022-03-08 — — CN disclosed
CN-114149656-A Curable thermosetting resin and application thereof in high-voltage insulator for switch cabinet 浙江省开化七一电力器材有限责任公司 2022-03-08 — — CN disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 — — US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 — — EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 — — WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 — — WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 — — US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 — — WO disclosed
US-4151291-A ANALGESICS UNICLER (FR) 1979-04-24 — — 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 AKR1B1 384/4885MIF 1992/4885PFKFB3 1541/4885
US-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 AKR1B1 507/4885MIF 2738/4885PFKFB3 2649/4885

“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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