SCHEMBL1044909

SCHEMBL1044909

CC(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.61
CES2 O00748 2/20 0.56
ACP3 P15309 2/20 0.51
PTPN5 P54829 1/20 0.49
DAO P14920 1/20 0.49
PDE2A O00408 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL1535283 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL343403 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL29404730 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL26036716 0.86 PTPN5 (0.48) PNMTCES2ACP3PTPN5DAO
SCHEMBL29755658 0.86 PTPN5 (0.48) PNMTCES2ACP3PTPN5DAO
SCHEMBL30365820 0.85 PNMT (0.57) PNMTCES2ACP3DAOPDE2A
SCHEMBL28620855 0.85 PNMT (0.57) PNMTCES2ACP3DAOPDE2A
SCHEMBL4135956 0.83 PNMT (0.65) PNMTCES2ACP3DAOIDO1
SCHEMBL255035 0.83 PNMT (0.55) PNMTCES2ACP3PTPN5DAO
SCHEMBL2601113 0.83 DAO (0.59) PNMTCES2ACP3DAOIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976007-A Nanometer double enzyme conjugate and application thereof in synthesis of (S) -1- (3-trifluoromethyl phenyl) ethanol 浙江工业大学 2023-04-18 CN claimed
CN-112176019-A Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2021-01-05 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
CN-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
EP-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 EP disclosed
CN-116144617-A NADH dependent alcohol dehydrogenase CpSADH, coding gene, strain and application 浙江工业大学 2023-05-23 CN disclosed
CN-116121216-A Fusion enzyme of carbonyl reductase and glucose dehydrogenase, coding gene, engineering bacteria and application 浙江工业大学 2023-05-16 CN disclosed
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
US-4554111-A α-Hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-19 US disclosed
US-4544652-A α-Hydroxyethylphosphinates, and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-01 US disclosed
EP-0093010-A2 Alpha-hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP disclosed
US-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 PNMT 2574/4885CES2 790/4885ACP3 105/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 PNMT 2574/4885CES2 790/4885ACP3 105/4885

“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.