SCHEMBL5375815

SCHEMBL5375815

CC[CH]c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.50
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
IDO1 P14902 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
SCHEMBL18243918 0.85 NFE2L2 (0.46) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL1385780 0.82 NFE2L2 (0.50) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL256688 0.81 NFE2L2 (0.55) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL434482 0.79 NFE2L2 (0.44) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL27671787 0.78 F7 (0.38) NFE2L2ALDH1A1LMNAHTR2AHTR2C
SCHEMBL8106391 0.77 NFE2L2 (0.46) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL1384058 0.76 NFE2L2 (0.54) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL3298105 0.75 NFE2L2 (0.58) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL22925060 0.75 GRIN2D (0.51) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL28117463 0.75 PDE2A (0.49) KDM4EHTR2AHTR2CKCNH2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104169281-B The pyrroles's diformamide condensed and they are as the purposes of medicine 赛诺菲 2016-12-14 CN claimed
CN-110358445-B Composition for forming water-repellent film and water-repellent film 信越化学工业株式会社 2022-06-17 CN disclosed
US-11118072-B2 Water repellent film-forming composition and water repellent film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-14 US disclosed
EP-3553121-B1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20190315972-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-17 US disclosed
EP-3553121-A1 WATER REPELLENT FILM-FORMING COMPOSITION AND WATER REPELLENT FILM Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-16 EP disclosed
CN-104169281-B The pyrroles's diformamide condensed and they are as the purposes of medicine 赛诺菲 2016-12-14 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-RE39531-E1 9-hydrazone and 9-azine erythromycin derivatives and a process for making the same ABBOTT LABORATORIES (US) 2007-03-27 US disclosed
WO-1999012946-A1 9-HYDRAZONE AND 9-AZINE ERYTHROMYCIN DERIVATIVES AND A PROCESS OF MAKING THE SAME ABBOTT LABORATORIES (US) 1999-03-18 WO disclosed
US-5872229-A MULYISTAGE PROCESS OF FORMING ANTIBIOTICS BY ALKYLATION OF HYDROXY GROUPS ABBOTT LABORATORIES (US) 1999-02-16 US disclosed
US-5864023-A 3'-N'oxide, 3'-n-dimethylamine, 9-oxime erythromycin a derivatives ABBOTT LABORATORIES (US) 1999-01-26 US disclosed
EP-0891370-A1 2'-PROTECTED 3'-DIMETHYLAMINE, 9-ETHEROXIME ERYTHROMYCIN A DERIVATIVES Abbott Laboratories (US) 1999-01-20 EP disclosed
US-5852180-A Chemical synthesis of 6-O-alkyl erythromycin A ABBOTT LABORATORIES (US) 1998-12-22 US disclosed
EP-0874862-A2 PROCESS FOR 6-O-ALKYLATION OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-11-04 EP disclosed
WO-1998035976-A1 3'-N-OXIDE, 3'-N-DIMETHYLAMINE, 9-OXIME ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1998-08-20 WO disclosed
US-5719272-A 2'-protected 3'-dimethylamine, 9-etheroxime erythromycin A derivatives ABBOTT LABORATORIES (US) 1998-02-17 US disclosed
WO-1997036912-A1 2'-PROTECTED 3'-DIMETHYLAMINE, 9-ETHEROXIME ERYTHROMYCIN A DERIVATIVES ABBOTT LABORATORIES (US) 1997-10-09 WO disclosed
WO-1997019096-A2 PROCESS FOR 6-O-ALKYLATION OF ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-05-29 WO 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 NFE2L2 45/4885PTGS1 758/4885PTGS2 654/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 NFE2L2 45/4885PTGS1 758/4885PTGS2 654/4885

“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.