SCHEMBL1335502

SCHEMBL1335502

CCCCN(CCCC)C(F)(F)N(CCCC)CCCC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 8/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32
CES1 P23141 5/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7940648 0.92 DNM1 (0.43) DNM1TSHRFAAHCA12CA1
SCHEMBL4605368 0.89 DNM1 (0.48) DNM1TSHRFAAHCA12CA1
SCHEMBL6563163 0.82 DNM1 (0.33) DNM1TSHRLMNAFAAHALDH1A1
SCHEMBL4603555 0.81 CA1 (0.30) CA1
SCHEMBL1338521 0.80 DNM1 (0.32) DNM1TSHRLMNAFAAHALDH1A1
SCHEMBL23862413 0.74 DNM1 (0.32) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL22532181 0.74 DNM1 (0.43) DNM1TSHRFAAHCA12CA1
SCHEMBL2524017 0.73 TSHR (0.35) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL30100355 0.72
SCHEMBL13570339 0.72 DNM1 (0.31) DNM1TSHRLMNAALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP claimed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US claimed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US claimed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 EP claimed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO disclosed
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
US-6686509-B2 Process for producing α, α-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2004-02-03 US disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030078460-A1 Process for producing alpha, alpha-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6344579-B1 REACTION OF FLUOROSILICON COMPOUND WITH REACTION OF SILICON WITH HYDROXY, ALKOXY OR ARYLOXY GROUP WITH DIFLUORODIAMINO COMPOUND MITSUI CHEMICALS, INC. (JP) 2002-02-05 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US disclosed
EP-1138633-A1 PROCESS FOR PRODUCING FLUORINATED SILICON COMPOUND Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-6127583-A Process for preparing acetylene derivative from a ketone compound MITSUI CHEMICALS, INC. (JP) 2000-10-03 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0949226-A1 Process for the preparation of acetylene derivatives Mitsui Chemicals, Inc. (JP) 1999-10-13 EP disclosed
EP-0895991-A2 Halogenating agent Mitsui Chemicals, Inc. (JP) 1999-02-10 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 (3 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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS DNM1 347/4885TSHR 2379/4885LMNA 2794/4885
US-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 DNM1 1433/4885TSHR 570/4885LMNA 4101/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 DNM1 917/4885TSHR 984/4885LMNA 3883/4885

“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.