Sugi Predict

Sugi Predict / Compounds / SCHEMBL8750455

SCHEMBL8750455

SCHEMBL8750455

CCOCc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ MAOB P27338 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ FFAR1 O14842 2/20 0.40
▸ CYP2A13 Q16696 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL21518160 0.98 TAAR1 (0.43) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL4315585 0.88 TAAR1 (0.50) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL648250 0.85 IDO1 (0.39) KMT2ATSHRALDH1A1TDP1MAPT
SCHEMBL10593611 0.83 TAAR1 (0.42) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL23343755 0.80 MAOB (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL3157124 0.80 MAOB (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
Ethylene Glycol SCHEMBL7751137 0.80 MAOB (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
Hydroquinone SCHEMBL10865260 0.80 MAOB (0.46) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL10814076 0.80 TAAR1 (0.43) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL7193095 0.80 TAAR1 (0.43) TAAR1MAOBADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 — — US disclosed
CN-110088066-A Method and apparatus for methylating aromatics in an aromatics complex 环球油品有限责任公司 2019-08-02 — — CN disclosed
CN-108430958-A Method and device for the toluene methylation in aromatic compounds equipment complex 环球油品公司 2018-08-21 — — CN disclosed
CN-105085576-B A kind of pyridine amido chromium complex and its preparation method and application 华东理工大学 2017-12-22 — — CN disclosed
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) SANOFI (FR) 2016-03-03 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
WO-2013118805-A1 3-SUBSTITUTED PROLINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2013-08-15 — — WO disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 — — EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 — — EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 — — US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 — — US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 — — EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 — — US disclosed
EP-0284385-A2 Aralkylphenolic resin molding material MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-09-28 — — EP disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 — — EP 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 (3 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 TAAR1 3406/4885MAOB 2809/4885ADRA2A 1339/4885
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 TAAR1 3667/4885MAOB 627/4885ADRA2A 4778/4885
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) METAP2, METAP1, XPNPEP2 TAAR1 2670/4885MAOB 382/4885ADRA2A 1486/4885

“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.