SCHEMBL7870943

SCHEMBL7870943

O=CCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
MIF P14174 2/20 0.49
ACP3 P15309 1/20 0.49
DAO P14920 2/20 0.48
IDO1 P14902 2/20 0.47
HTR2B P41595 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
CYP2D6 P10635 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
DPP4 P27487 1/20 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
SCHEMBL19399695 0.95 TAAR1 (0.56) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL66607 0.90 TAAR1 (0.61) TAAR1HDAC1HDAC8MIFACP3
Formaldehyde SCHEMBL28263667 0.87 TAAR1 (0.57) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL11516989 0.83 TAAR1 (0.57) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL5535930 0.83 TAAR1 (0.53) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL5540234 0.81 HDAC1 (0.54) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL1045499 0.81 TAAR1 (0.62) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL18003547 0.81 MAOB (0.50) TAAR1HDAC1HDAC8MIFACP3
SCHEMBL39835 0.80 TAAR1 (0.56) TAAR1MIFACP3DAOIDO1
SCHEMBL2095502 0.80 TAAR1 (0.53) TAAR1HDAC1HDAC8MIFACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096070-B Method for producing m-trifluoromethyl phenylpropyl aldehyde 中国石油化工股份有限公司 2021-10-01 CN disclosed
CN-109180496-B Method for synthesizing cinacalcet by using chemical-enzymatic method 浙江大学 2021-02-09 CN disclosed
EP-2406211-B1 A NEW METHOD FOR THE PREPARATION OF CINACALCET AND NEW INTERMEDIATES THEREOF MEGAFINE PHARMA P LTD (IN) 2018-06-27 EP disclosed
US-8969623-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2015-03-03 US disclosed
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof MEGAFINE PHARMA (P) LTD. (IN) 2014-03-20 US disclosed
US-8575395-B2 Method for the preparation of cinacalcet and intermediates and impurities thereof Amneal Pharmaceuticals, LLC (US) 2013-11-05 US disclosed
US-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof Amneal Pharmaceuticals, LLC (US) 2011-12-29 US disclosed
WO-2010103531-A2 A NEW METHOD FOR THE PREPARATION OF CINACALCET AND NEW INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2010-09-16 WO disclosed
EP-0194764-B1 PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-07-12 EP disclosed
EP-0194764-A1 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-09-17 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-20110319663-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 TAAR1 1331/4885HDAC1 1038/4885HDAC8 3514/4885
US-20140081048-A1 Method For The Preparation Of Cinacalcet And Intermediates And Impurities Thereof CMA1, SI, ALDH1A1 TAAR1 1331/4885HDAC1 1038/4885HDAC8 3514/4885

“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.