SCHEMBL855642

SCHEMBL855642

O=C(c1ccccc1)C(F)(F)Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.67
CES2 O00748 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
SRC P12931 1/20 0.44
MAPK1 P28482 2/20 0.43
TRPA1 O75762 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9861767 0.86 CES1 (0.67) CES1CES2ALDH1A1TSHRDAO
SCHEMBL5158726 0.82 CES1 (0.61) CES1CES2ALDH1A1TSHRDAO
SCHEMBL28445929 0.82 CES1 (0.61) CES1CES2ALDH1A1TSHRDAO
SCHEMBL132067 0.80 CES1 (0.58) CES1CES2ALDH1A1TSHRDAO
Benzene SCHEMBL27672585 0.80 CES1 (1.00) CES1CES2ALDH1A1TSHRDAO
SCHEMBL33083 0.80 CES1 (1.00) CES1CES2ALDH1A1TSHRDAO
SCHEMBL11183801 0.80 CES1 (0.58) CES1CES2ALDH1A1TSHRDAO
SCHEMBL7907262 0.80 CES1 (0.73) CES1CES2ALDH1A1TSHRDAO
SCHEMBL28741013 0.79 CES1 (0.57) CES1CES2ALDH1A1TSHRDAO
Benzoic Acid SCHEMBL21747702 0.78 TSHR (0.70) CES1CES2ALDH1A1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085234-B Process for preparing 1, 3-benzodioxole heterocyclic compounds 联合疗法公司 2024-12-17 CN claimed
CN-117143005-A Fluoro methyl bis-carbazolyl methane compound and synthesis method thereof 宁波大学 2023-12-01 CN claimed
EP-3390407-B1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION THERAPEUTICS AS (DK) 2023-10-11 EP claimed
US-20230073362-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION therapeutics A/S (DK) 2023-03-09 US claimed
US-11370799-B2 Methods for the preparation of 1,3-benzodioxole heterocyclic compounds UNION therapeutics A/S (DK) 2022-06-28 US claimed
US-20220162227-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION therapeutics A/S (DK) 2022-05-26 US claimed
US-20200262842-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION therapeutics A/S (DK) 2020-08-20 US claimed
CN-102775345-A Preparation method of roflumilast and intermediates TOPHARMAN SHANGHAI CO LTD 2012-11-14 CN claimed
US-12630514-B2 Process and intermediates for the preparation of pyroxasulfone ADAMA AGAN LTD. (IL) 2026-05-19 US disclosed
US-20260035383-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS UNION THERAPEUTICS AS (DK) 2026-02-05 US disclosed
US-12497382-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2025-12-16 US disclosed
WO-2025128933-A1 GABA-A RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2025-06-19 WO disclosed
CN-119874674-A GLP-1R modulating compounds 吉利德科学公司 2025-04-25 CN disclosed
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
US-5986144-A Triazole derivative, preparation process thereof and pharmaceutical comprising the same as an effective ingredient SS PHARMACEUTICAL CO., LTD. (JP) 1999-11-16 US disclosed
US-5945438-A ANTIMYCOTIC AGENT SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-31 US disclosed
EP-0780380-A1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
US-5081273-A PROCESS FOR THE PREPARATION OF INSECTICIDALLY ACTIVE DIPHENYL ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
US-4942264-A WITTIG REACTION FOLLOWED BY REDUCTION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-17 US disclosed
EP-0298478-A2 Method for the production of alpha-gluoroketones CIBA-GEIGY AG (CH) 1989-01-11 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 (8 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-20200262842-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS PDE4B, PDE4A, PDE4C CES1 297/4885CES2 291/4885ALDH1A1 687/4885
US-20230073362-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS PDE4B, PDE4A, PDE3B CES1 223/4885CES2 190/4885ALDH1A1 618/4885
US-12630514-B2 Process and intermediates for the preparation of pyroxasulfone MRPS23, CYP2E1, CYP2S1 CES1 1130/4885CES2 2480/4885ALDH1A1 1705/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 CES1 2056/4885CES2 2456/4885ALDH1A1 1156/4885
US-20220162227-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS PDE4B, PDE4A, PDE4C CES1 286/4885CES2 216/4885ALDH1A1 748/4885
US-20260035383-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS NOX4, PDE3B, CBR1 CES1 258/4885CES2 117/4885ALDH1A1 59/4885
US-12497382-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 CES1 877/4885CES2 3464/4885ALDH1A1 3556/4885
US-11370799-B2 Methods for the preparation of 1,3-benzodioxole heterocyclic compounds PDE4B, PDE4A, PDE4C CES1 297/4885CES2 291/4885ALDH1A1 687/4885

“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.