Sugi Predict

Sugi Predict / Compounds / SCHEMBL3822745

SCHEMBL3822745

SCHEMBL3822745

CC(C)(C)c1ccc(C(=O)O)cc1.CC(O)C[N+](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.57
▸ RARB P10826 1/20 0.53
▸ RARG P13631 1/20 0.53
▸ NR1H4 Q96RI1 5/20 0.52
▸ EPHX2 P34913 3/20 0.50
▸ RXRA P19793 3/20 0.49
▸ RXRB P28702 3/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ RXRG P48443 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL3822743 0.86 HDAC1 (0.41) SRD5A2NR1H4EPHX2CA1CA2
Propylene Glycol SCHEMBL5082556 0.83 SRD5A2 (0.65) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL4578224 0.83 SRD5A2 (0.65) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL569727 0.83 SRD5A2 (0.65) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL26986837 0.82 SRD5A2 (0.62) SRD5A2RARBRARGNR1H4EPHX2
Tetramethylammonium Ion SCHEMBL107018 0.81 SRD5A2 (0.77) SRD5A2RARBRARGNR1H4EPHX2
Lactic Acid SCHEMBL8967228 0.80 SRD5A2 (0.69) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL36693 0.79 SRD5A2 (0.87) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL4577946 0.78 SRD5A2 (0.67) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL28260947 0.78 SRD5A2 (0.57) SRD5A2RARBRARGNR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12594700-B2 Coatings from polyisocyanurate coatings (rim) and their use in injection molding processes COVESTRO DEUTSCHLAND AG (DE) 2026-04-07 — — US disclosed
US-20250388778-A1 POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-12-25 — — US disclosed
US-12492281-B2 Polyisocyanurate materials as electrical potting compounds COVESTRO DEUTSCHLAND AG (DE) 2025-12-09 — — US disclosed
EP-3688050-B1 TWO-COMPONENT SYSTEM FOR ELASTIC COATINGS COVESTRO DEUTSCHLAND AG (DE) 2025-03-26 — — EP disclosed
US-12247144-B2 Anhydrously curing polyisocyanate-based adhesives COVESTRO DEUTSCHLAND AG (DE) 2025-03-11 — — US disclosed
US-12157790-B2 Composite materials based on dual-cure urethane polymers and dual-cure isocyanurate polymers COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-12-03 — — US disclosed
US-20240301154-A1 POLYISOCYANURATE-PREPREGS AND FIBER COMPOSITE COMPONENTS PRODUCED THEREFROM COVESTRO DEUTSCHLAND AG (DE) 2024-09-12 — — US disclosed
EP-3601405-B1 GENERATION OF POLYISOCYANURATE LAYERS THROUGH SEPARATE APPLICATION OF ISOCYANATE COMPONENTS AND CATALYSTS COVESTRO DEUTSCHLAND AG (DE) 2024-08-28 — — EP disclosed
EP-3743449-B1 SEMI-FINISHED PRODUCTS BASED ON DUAL CROSS-LINKING MECHANISM COVESTRO DEUTSCHLAND AG (DE) 2024-04-17 — — EP disclosed
EP-3085718-B1 SILOXANE GROUPS CONTAINING POLYISOCYANURATE PLASTIC AND METHOD FOR PRODUCING THE SAME COVESTRO DEUTSCHLAND AG (DE) 2024-04-17 — — EP disclosed
US-20080103263-A1 Emulsifiable Polyisocyanate ERDEM BEDRI 2008-05-01 — — US disclosed
US-20080033086-A1 Blocked Isocyanates and Their Use in Coating Compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2008-02-07 — — US disclosed
EP-1789465-A1 EMULSIFIABLE POLYISOCYANATE Dow Gloval Technologies Inc. (US) 2007-05-30 — — EP disclosed
US-20060155095-A1 Preparation of isocyanurate group containing polyisocyanate mixtures DAUSSIN RORY D 2006-07-13 — — US disclosed
WO-2006029140-A9 EMULSIFIABLE POLYISOCYANATE DOW GLOBAL TECHNOLOGIES INC (US) 2006-07-06 — — WO disclosed
WO-2006029140-A1 EMULSIFIABLE POLYISOCYANATE DOW GLOBAL TECHNOLOGIES INC. (US) 2006-03-16 — — WO disclosed
EP-1599526-A1 PREPARATION OF ISOCYANURATE GROUP CONTAINING POLYISOCYANATE MIXTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2005-11-30 — — EP disclosed
WO-2004078820-A1 PREPARATION OF ISOCYANURATE GROUP CONTAINING POLYISOCYANATE MIXTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-16 — — WO disclosed
US-5369207-A Preparation of low-viscosity, isocyanurate and urethane group-containing polyisocyanate mixtures BASF AKTIENGESELLSCHAFT (DE) 1994-11-29 — — US disclosed
US-5070137-A PROCESS FOR THE PREPARATION OF POLYISOCYANATE DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-12-03 — — 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-20250388778-A1 POLYISOCYANATE MIXTURE IPO11, IPO5, ALKBH1 SRD5A2 1864/4885RARB 3415/4885RARG 3191/4885
US-12594700-B2 Coatings from polyisocyanurate coatings (rim) and their use in injection molding processes TST, C9, ESD SRD5A2 1489/4885RARB 4814/4885RARG 4822/4885

“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.