SCHEMBL993113

SCHEMBL993113

COC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
NR4A2 P43354 2/20 0.54
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CFTR P13569 1/20 0.50
HSD17B10 Q99714 1/20 0.50
P2RX7 Q99572 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 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
Hydrochloric Acid SCHEMBL980715 0.98 TSHR (0.57) TSHRCYP1A2PKMCYP2C19LMNA
SCHEMBL19923181 0.84 SLC6A3 (0.59) TSHRLMNANR4A2ALDH1A1SLC6A3
SCHEMBL5955449 0.83 TSHR (0.63) TSHRCYP1A2PKMCYP2C19LMNA
SCHEMBL29566931 0.83 TSHR (0.63) TSHRCYP1A2PKMCYP2C19LMNA
SCHEMBL196555 0.83 LMNA (0.61) TSHRLMNAHPGDNR4A2ALDH1A1
SCHEMBL36590 0.83 TSHR (0.63) TSHRCYP1A2PKMCYP2C19LMNA
SCHEMBL30488606 0.83 LMNA (0.61) TSHRLMNAHPGDNR4A2ALDH1A1
SCHEMBL2859762 0.82 TSHR (0.66) TSHRLMNANR4A2ALDH1A1SLC6A3
SCHEMBL724484 0.82 NR4A2 (0.53) TSHRCYP1A2CYP2C19LMNAHPGD
SCHEMBL2196615 0.82 PTGS2 (0.55) TSHRLMNANR4A2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN claimed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN claimed
EP-3258968-A1 IMPROVED PHOTODYNAMIC PROCESS AND PRODUCT OBTAINED THEREFROM Kiadis Pharma Intellectual Property BV (NL) 2017-12-27 EP claimed
WO-2016131960-A1 IMPROVED PHOTODYNAMIC PROCESS AND PRODUCT OBTAINED THEREFROM KIADIS PHARMA INTELLECTUAL PROPERTY BV (NL) 2016-08-25 WO claimed
EP-3058957-A1 Improved photodynamic process and product obtained therefrom Kiadis Pharma Intellectual Property BV (NL) 2016-08-24 EP claimed
EP-1349823-B1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CHEMTURA CORP (US) 2007-11-21 EP claimed
EP-1349823-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR Crompton Corporation (US) 2003-10-08 EP claimed
WO-2002055466-A1 PROCESS FOR BASE-PROMOTED CONDENSATION REACTIONS AND BASE REAGENT THEREFOR CROMPTON CORPORATION (US) 2002-07-18 WO claimed
US-6410795-B1 FORMING DIKETONES CROMPTON CORPORATION 2002-06-25 US claimed
US-12433152-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2025-09-30 US disclosed
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN disclosed
CN-114068847-B Composition for organic photoelectric device, organic photoelectric device and display device 三星SDI株式会社 2024-12-13 CN disclosed
CN-113948664-B Composition for organic photoelectric device, organic photoelectric device and display apparatus 三星SDI株式会社 2024-11-29 CN disclosed
CN-114388716-B Composition for organic photoelectric device, organic photoelectric device and display device 三星SDI株式会社 2024-10-25 CN disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 WO disclosed
EP-0507013-B1 Process for the preparation of aromatic beta-diketones WITCO CORP (US) 1996-02-07 EP disclosed
EP-0507013-A1 Process for the preparation of aromatic beta-diketones WITCO CORPORATION (US) 1992-10-07 EP disclosed
EP-0459830-A1 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed
US-5015777-A Reaction of an acetophenone and an aliphatic ester or an ester of benzoic acid in the presence of sodium alkoxide condensation agent in an aromatic solvent WITCO CORPORATION (US) 1991-05-14 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-12433152-B2 Compound for organic optoelectronic device, composition for organic optoelectronic device, organic optoelectronic device and display device OCIAD2, OCIAD1, OXER1 TSHR 3733/4885CYP1A2 460/4885PKM 2779/4885

“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.