Sugi Predict

Sugi Predict / Compounds / SCHEMBL974061

SCHEMBL974061

SCHEMBL974061

O=C(O)C(OO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PPARA Q07869 4/20 0.45
▸ PPARG P37231 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL8400939 0.83 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL27790606 0.82 ALDH1A1 (0.52) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11404609 0.81 SRC (0.52) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL8916696 0.80 ALDH1A1 (0.65) LMNACES2CES1ALDH1A1CYP3A4
SCHEMBL8467712 0.80 CES2 (0.43) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL14686240 0.79 CYP2D6 (0.50) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL155984 0.79 ALDH1A1 (0.54) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL248434 0.79 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL103235 0.79 ALDH1A1 (0.54) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL2174670 0.79 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478429-B 3-alkylthio isothiazole derivative and synthetic method thereof 中国科学院大连化学物理研究所 2023-11-17 — — CN claimed
CN-114478429-A 3-alkylthio isothiazole derivative and synthetic method thereof 中国科学院大连化学物理研究所 2022-05-13 — — CN claimed
CN-118515702-A Method for preparing hexamethyldisilazane by oxidation treatment of hexamethyldisilane waste liquid 山东博苑医药化学股份有限公司 2024-08-20 — — CN disclosed
CN-117720393-A Method for preparing 2, 2-trifluoroethanol from 1, 1-trifluoro-2-chloroethane 淄博飞源化工有限公司 2024-03-19 — — CN disclosed
US-20230416182-A1 PROCESS FOR PREPARING FRAMBIONE RHODIA OPERATIONS (FR) 2023-12-28 — — US disclosed
CN-108047033-B Reaction device and method for preparing mandelic acid compound 江西科苑生物药业有限公司 2023-12-01 — — CN disclosed
CN-114478429-B 3-alkylthio isothiazole derivative and synthetic method thereof 中国科学院大连化学物理研究所 2023-11-17 — — CN disclosed
EP-4255879-A1 METHOD FOR PRODUCING FRAMBINONE RHODIA OPERATIONS (FR) 2023-10-11 — — EP disclosed
CN-116615407-A Method for producing raspberry ketone 罗地亚经营管理公司 2023-08-18 — — CN disclosed
CN-115784534-B Multistage continuous polymerization treatment method and device for D-p-hydroxyphenylglycine production wastewater 湖北省宏源药业科技股份有限公司 2023-07-21 — — CN disclosed
CN-115784534-A Multistage continuous polymerization treatment method and device for D-p-hydroxyphenylglycine production wastewater 天俱时工程科技集团有限公司 2023-03-14 — — CN disclosed
US-6753441-B1 CONDENSING, IN WATER AND BASE, HYDROXYLATED AROMATIC COMPOUND WITH GLYOXYLIC ACID USING POLYCARBOXYLIC ACID CATALYST RHODIA CHIMIE (FR) 2004-06-22 — — US disclosed
EP-1021418-A4 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS INC (US) 2001-06-13 — — EP disclosed
EP-1021418-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-07-26 — — EP disclosed
WO-1997034878-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS, INC. (US) 1997-09-25 — — WO disclosed
EP-0767162-A1 Sodium orthohydroxylate-phenol-water complexes, process for preparing same and application for isolation of sodium orthohydroxymandelate SOCIETE FRANCAISE HOECHST Société anonyme dite: (FR) 1997-04-09 — — EP disclosed
US-5430183-A Para-hydroxyalkylation of hydroxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1995-07-04 — — US disclosed
WO-1994014746-A1 PROCESS FOR SEPARATING THE ORTHO- AND PARA- ISOMERS OF HYDROXYMANDELIC ACID OR A SALT THEREOF, THE ISOMERS THUS OBTAINED, THE USE OF THE ORTHO-ISOMER FOR THE PREPARATION OF EDDHA TECHNISCHE UNIVERSITEIT DELFT (NL) 1994-07-07 — — WO disclosed
US-4978784-A Process for industrial manufacture of sodium parahydroxymandelate SOCIETE FRANCAISE HOECHST (FR) 1990-12-18 — — US disclosed
US-4385006-A Process for preparing aromatic nitriles 501 SOCIETE FRANCAISE HOECHST (FR) 1983-05-24 — — 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 (1 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-20230416182-A1 PROCESS FOR PREPARING FRAMBIONE GRHPR, FDPS, FPGS SRC 4077/4885CYP2D6 1858/4885LMNA 652/4885

“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.