SCHEMBL13488

SCHEMBL13488

Fc1ccc(F)c(I)c1F

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL3867828 0.77 ALDH1A1 (0.39) CES2CES1
SCHEMBL7936128 0.77 ACHE (0.36) CES2CES1
SCHEMBL14964653 0.77 ALDH1A1 (0.39)
SCHEMBL16089553 0.77 ACHE (0.36)
SCHEMBL7523758 0.77 CES2 (0.31) CES2CES1
SCHEMBL16089554 0.77 CA3 (0.39) CES2CES1
SCHEMBL16618074 0.77 KDM1A (0.33)
SCHEMBL4582025 0.77 NOTUM (0.32)
SCHEMBL7737173 0.77 CA3 (0.39) CES2CES1
SCHEMBL45430 0.73 CES2 (0.53) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023190846-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING AROMATIC COMPOUND ダイキン工業株式会社 2023-10-05 WO disclosed
EP-2844345-B1 MODULATORS OF THE RELAXIN RECEPTOR 1 US HEALTH (US) 2022-08-03 EP disclosed
EP-3954677-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2022-02-16 EP disclosed
WO-2021015522-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-01-28 WO disclosed
US-10125112-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-13 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
EP-3050882-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2016-08-03 EP disclosed
EP-2545045-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-06 EP disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
CN-101008688-A Optical filter ADEKA CORP (JP) 2007-08-01 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
EP-0109606-B1 PROCESS FOR THE FORMYLATION OF ARYL HALIDES BAYER AG (DE) 1986-01-22 EP disclosed
US-4536344-A USING A PHOSPINE OR PHOSPHITE BAYER AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
EP-0109606-A1 Process for the formylation of aryl halides BAYER AG (DE) 1984-05-30 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 (5 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CES2 4439/4885CES1 722/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 CES2 778/4885CES1 162/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 CES2 573/4885CES1 1059/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 CES2 4439/4885CES1 722/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CES2 4439/4885CES1 722/4885

“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.