SCHEMBL8512433

SCHEMBL8512433

Fc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
CHRM2 P08172 1/20 0.53
MPO P05164 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
MAOA P21397 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ACHE P22303 3/20 0.44

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
SCHEMBL9882925 0.91 KDM4E (0.52) SIGMAR1CHRM2MPOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8514187 0.90 KDM4E (0.51) SIGMAR1CHRM2MPOKDM4EALDH1A1
SCHEMBL9882956 0.86 SIGMAR1 (0.61) SIGMAR1CHRM2KDM4EALDH1A1MAOA
SCHEMBL8512685 0.85 SIGMAR1 (0.57) SIGMAR1CHRM2ALDH1A1MAOA
Hydrochloric Acid SCHEMBL8529048 0.84 SIGMAR1 (0.59) SIGMAR1CHRM2KDM4EALDH1A1MAOA
Hydrochloric Acid SCHEMBL9943686 0.84 SIGMAR1 (0.56) SIGMAR1CHRM2ALDH1A1MAOA
SCHEMBL9882959 0.82 SIGMAR1 (0.57) SIGMAR1CHRM2MAOA
SCHEMBL9882963 0.82 SIGMAR1 (0.57) SIGMAR1CHRM2KDM4EALDH1A1
SCHEMBL9882970 0.82 SIGMAR1 (0.53) SIGMAR1CHRM2KDM4ELTA4HEPHX2
Hydrochloric Acid SCHEMBL8515225 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
US-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2013-11-07 US disclosed
EP-2642987-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS Faes Farma, S.A. (ES) 2013-10-02 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
EP-2465498-A1 Diphenyl-amine derivatives: uses, process of synthesis and pharmaceutical compositions FAES FARMA, S.A. (ES) 2012-06-20 EP disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069442-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS FAES FARMA, S.A. (ES) 2012-05-31 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 (1 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-20130296346-A1 DIPHENYL-AMINE DERIVATIVES: USES, PROCESS OF SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CYP2D6, DDC, PAH SIGMAR1 1329/4885CHRM2 2412/4885MPO 422/4885

“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.