SCHEMBL16650

SCHEMBL16650

C=C(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CYP2A6 P11509 1/20 0.38
GSK3B P49841 2/20 0.37
ALOX15 P16050 1/20 0.36
OGG1 O15527 1/20 0.35
LMNA P02545 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL20482416 0.82 CES2 (0.39) CES2CES1CA1CA2CYP2A6
SCHEMBL19385678 0.78 PLOD2 (0.45) CES2CES1CA1CA2MAOA
SCHEMBL685624 0.78 MAPT (0.52) CA1CA2ALOX15LMNAMAPT
SCHEMBL928167 0.76 CES2 (0.54) CES2CES1GSK3B
SCHEMBL20973221 0.76 CES2 (0.42) CES2CES1CA1CA2CYP2A6
SCHEMBL15202933 0.76 CA2 (0.45) CES2CES1CA2GSK3BLMNA
SCHEMBL854912 0.76 NOTUM (0.35)
SCHEMBL4263908 0.76 MASP2 (0.41) ALOX15LMNAMAPTTDP1MAOA
SCHEMBL17892228 0.76 CES2 (0.42) CES2CES1CA1CA2CYP2A6
SCHEMBL32009 0.75 CES1 (0.52) CES2CES1LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024349-A 3, 3-difluoro-1, 5-hexadiene compound and preparation method and application thereof 南京工业大学 2021-06-25 CN claimed
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-12435054-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-10-07 US disclosed
EP-4185386-B1 HETEROCYCLIC INHIBITORS OF TEAD FOR TREATING CANCER GENENTECH INC (US) 2025-01-08 EP disclosed
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-13 US disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
CN-1108659-A Trifluoroisopropenyl zinc reagent and its derivate application SHANGHAI INST ORGANIC CHEM (CN) 1995-09-20 CN disclosed
CN-1027539-C Preparation method of fluorine-containing isopropenyl zinc reagent and derivative thereof SHANGHAI INST ORGANIC CHEM (CN) 1995-02-01 CN disclosed
CN-1051911-A Trifluoroisopropenyl zinc reagent and derivative, preparation and application thereof SHANGHAI ORGANIC CHEMESTRY INS (CN) 1991-06-05 CN 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 (6 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-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF CACNA1G, CACNA1H, CACNB2 CES2 3615/4885CES1 3974/4885CA1 145/4885
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 CES2 152/4885CES1 706/4885CA1 2375/4885
US-12435054-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 CES2 152/4885CES1 706/4885CA1 2375/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 CES2 3625/4885CES1 2466/4885CA1 4137/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR CES2 1026/4885CES1 330/4885CA1 3602/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CES2 4719/4885CES1 4443/4885CA1 4881/4885

“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.