SCHEMBL8714549

SCHEMBL8714549

[CH2]CCCc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
MAOB P27338 1/20 0.38
KCNH2 Q12809 2/20 0.38
MPO P05164 4/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 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
SCHEMBL7664923 0.92 IDO1 (0.44) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL5375818 0.87 IDO1 (0.50) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL16960851 0.83 PSEN1 (0.39) IDO1AGXTMPOALDH1A1
SCHEMBL7700904 0.82 IDO1 (0.58) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL6193002 0.81 MPO (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL29745090 0.81 MPO (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1310562 0.80 PDPK1 (0.42) CA2
SCHEMBL15227206 0.79 IDO1 (0.47) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL81791 0.79 IDO1 (0.47) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL13349755 0.79 TYR (0.50) IDO1AGXTDAOKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US 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.