SCHEMBL16775434

SCHEMBL16775434

O=CCCCc1cccc(C(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PGK1 P00558 2/20 0.37
PGK2 P07205 2/20 0.37
PTGIR P43119 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
LMNA P02545 1/20 0.33
MGLL Q99685 1/20 0.33
KCNH2 Q12809 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL6572567 0.87 HDAC4 (0.39) DAOCYSLTR2CYSLTR1PTGIRLMNA
SCHEMBL11198497 0.81 CYSLTR2 (0.42) CYSLTR2CYSLTR1
SCHEMBL1705960 0.77 TAAR1 (0.53) DAO
SCHEMBL13679163 0.77 DAO (0.48) DAOCYSLTR2CYSLTR1PGK1PGK2
SCHEMBL21323482 0.77 DAO (0.48) DAO
SCHEMBL10317438 0.77 DAO (0.48) DAO
Formic Acid SCHEMBL28261576 0.77 LPL (0.49) DAOCYSLTR2CYSLTR1
SCHEMBL4227993 0.76 TYR (0.41) DAOCYSLTR2CYSLTR1
SCHEMBL31634534 0.76 TYR (0.41) DAOCYSLTR2CYSLTR1
SCHEMBL30428130 0.75 SMN1; SMN2 (0.58) DAOCYSLTR2CYSLTR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof AMNEAL PHARMACEUTICALS LLC (US) 2015-06-04 US 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-20150152040-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 DAO 2271/4885CYSLTR2 2113/4885CYSLTR1 1316/4885

“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.