SCHEMBL96915

SCHEMBL96915

O=Cc1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.54
ERN1 O75460 1/20 0.50
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTPN1 P18031 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A1 P04798 1/20 0.41

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
SCHEMBL29824365 1.00 NFE2L2 (0.54) NFE2L2ERN1GRIN2DGRIN3BGRIN1
SCHEMBL9640276 0.91 NFE2L2 (0.56) NFE2L2ERN1GRIN2DGRIN3BGRIN1
SCHEMBL8072738 0.89 NFE2L2 (0.60) NFE2L2ERN1GRIN2DGRIN3BGRIN1
SCHEMBL505574 0.84 PIM1 (0.50) NFE2L2ERN1GRIN2DGRIN3BGRIN1
SCHEMBL2774294 0.82 KIF11 (0.44) NFE2L2ERN1ALDH1A1KDM4E
SCHEMBL4363014 0.82 ERN1 (0.46) NFE2L2ERN1ALDH1A1KDM4EPTPN1
SCHEMBL29957006 0.82 ERN1 (0.46) NFE2L2ERN1ALDH1A1KDM4EPTPN1
SCHEMBL18181691 0.80 KDM4E (0.44) NFE2L2ERN1ALDH1A1KDM4EPTPN1
SCHEMBL65723 0.80 ERN1 (0.56) NFE2L2ERN1ALDH1A1KDM4EPTPN1
Water SCHEMBL28915146 0.80 ERN1 (0.45) NFE2L2ERN1ALDH1A1KDM4EPTPN1

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

Appears in 2825 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103371-B EGFR inhibitor and preparation method and application thereof SHANDONG NEW TIME PHARMACEUTICAL Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-116606265-B Protocatechu derivative and synthesis method and application thereof 山西大学 2025-05-02 CN claimed
CN-119899122-A Cyclobutylmethyl and phenyl substituted curcumin derivative and preparation method and application thereof 常州大学 2025-04-29 CN claimed
CN-119119116-A Rhein phosphoryl derivative and synthetic method and application thereof 甘肃中医药大学 2024-12-13 CN claimed
CN-118852032-A Alpha, beta-unsaturated ketone derivative, preparation method and application thereof 赣南医科大学 2024-10-29 CN claimed
CN-115772110-B Method for preparing potassium ion competitive blocker non-surafaxin intermediate 沈阳药科大学 2024-08-23 CN claimed
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118103371-A EGFR inhibitor and preparation method and application thereof 山东新时代药业有限公司 2024-05-28 CN claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0497796-B1 METHOD OF PREPARATION OF FLUOROBENZENES HOECHST AG (DE) 1994-06-22 EP claimed
US-5264094-A Process for the preparation of fluorobenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-23 US claimed
EP-0497796-A1 METHOD OF PREPARATION OF FLUOROBENZENES. HOECHST AG (DE) 1992-08-12 EP claimed
WO-1991006518-A1 METHOD OF PREPARATION OF FLUOROBENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-16 WO claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US claimed