Sugi Predict

Sugi Predict / Compounds / SCHEMBL802632

SCHEMBL802632

SCHEMBL802632

CCc1ccc(-c2cc3ccc(CC)cc3oc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.56
▸ MIF P14174 7/20 0.55
▸ GLA P06280 3/20 0.54
▸ RAB9A P51151 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ SIRT3 Q9NTG7 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51
▸ ACHE P22303 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP19A1 P11511 1/20 0.50

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
SCHEMBL14749525 0.93 MIF (0.66) ESR2MIFGLARAB9AMEN1
SCHEMBL12386450 0.91 ESR2 (0.51) ESR2MIFGLARAB9AMEN1
SCHEMBL23316808 0.88 ESR2 (0.76) ESR2MIFGLARAB9AMEN1
SCHEMBL13487216 0.88 PGR (0.56) ESR2MIFGLARAB9AMEN1
SCHEMBL9237422 0.88 MIF (0.67) ESR2MIFGLARAB9AMEN1
SCHEMBL16436112 0.86 MAOB (0.51) ESR2MIFGLAACHETP53
SCHEMBL26277668 0.86 ESR2 (0.52) ESR2MIFGLARAB9AMEN1
SCHEMBL8121077 0.84 PON1 (0.72) ESR2MIFGLARAB9AMEN1
SCHEMBL23316813 0.82 NPC1 (0.74) MIFGLARAB9AMEN1KMT2A
SCHEMBL21761558 0.82 MIF (0.56) ESR2MIFGLARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 — — US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 — — US disclosed
US-20230340328-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 — — US disclosed
US-11788009-B2 Liquid-crystalline medium for use in a switching element MERCK PATENT GMBH (DE) 2023-10-17 — — US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 — — US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 — — US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 — — US disclosed
US-20130057947-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 — — US disclosed
US-20130037745-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-02-14 — — US disclosed
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 — — US disclosed
US-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 — — US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 — — US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 — — US disclosed
US-20120032112-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-02-09 — — US disclosed
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-27 — — US disclosed
US-20110095229-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-28 — — US disclosed
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2010-10-28 — — 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 (6 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG ESR2 3290/4885MIF 2512/4885GLA 109/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 ESR2 1598/4885MIF 1983/4885GLA 660/4885
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN ESR2 3142/4885MIF 2726/4885GLA 355/4885
US-20120327357-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, VCL, MAP1LC3C ESR2 1342/4885MIF 1933/4885GLA 329/4885
US-20110261311-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL MEDIA AND LIQUID-CRYSTAL DISPLAYS LPXN, MAP1LC3C, VCL ESR2 1405/4885MIF 1847/4885GLA 352/4885
US-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 ESR2 2665/4885MIF 3340/4885GLA 951/4885

“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.