SCHEMBL5375818

SCHEMBL5375818

[CH2]CCc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DAO P14920 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 9/20 0.44
HTR2C P28335 8/20 0.44
MAOB P27338 1/20 0.40
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.37
NR3C2 P08235 1/20 0.37
GSK3B P49841 1/20 0.36
BACE1 P56817 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
SCHEMBL8714549 0.87 IDO1 (0.47) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL7700904 0.85 IDO1 (0.58) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL7664923 0.84 IDO1 (0.44) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL16952272 0.82 PSEN1 (0.41) IDO1AGXTHTR2AALDH1A1
SCHEMBL129245 0.81 IDO1 (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1116576 0.79 IDO1 (0.57) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL29431834 0.79 IDO1 (0.57) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1385782 0.79 IDO1 (0.52) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1311178 0.78 PDPK1 (0.44)
SCHEMBL27651477 0.78 HTR2A (0.40) IDO1HTR2AHTR2CKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024132895-A1 MICROBIOCIDAL DIHYDROOXADIAZINYL PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
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-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
CN-107141313-A Transparent oxide electrode and its production method that surface modifier, surface for transparent oxide electrode are modified 信越化学工业株式会社 2017-09-08 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
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
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (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
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 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 (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 IDO1 3306/4885AGXT 1037/4885DAO 24/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 IDO1 3306/4885AGXT 1037/4885DAO 24/4885

“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.