SCHEMBL4605368

SCHEMBL4605368

CCCCCCN(CCCCCC)C(F)(F)N(CCCCCC)CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
CES2 O00748 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GBA1 P04062 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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 0.97 DNM1 (0.43) DNM1TSHRTHRBFAAHCES1
SCHEMBL1335502 0.89 DNM1 (0.33) DNM1TSHRTHRBFAAHCES1
SCHEMBL22532181 0.81 DNM1 (0.43) DNM1TSHRTHRBFAAHCES1
SCHEMBL4603555 0.77 CA1 (0.30) CA1
SCHEMBL11034478 0.77 DNM1 (0.40) DNM1TSHRTHRBFAAHCES1
SCHEMBL10705836 0.76 DNM1 (0.50) DNM1TSHRTHRBMEN1KMT2A
Nonane SCHEMBL28466423 0.76 DNM1 (0.50) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL14997774 0.76 DNM1 (0.50) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL28190831 0.76 DNM1 (0.50) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL14997773 0.76 DNM1 (0.50) DNM1TSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895991-B1 Halogenating agent MITSUI CHEMICALS INC (JP) 2008-07-09 EP disclosed
US-6632949-B2 Difluoro-diamine methylene derivatives MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030004348-A1 Halogenating agents SONODA HIROSHI (JP) 2003-01-02 US disclosed
US-6458990-B1 BIS(DIHYDROCARBYLAMINO)DIFLUOROMETHANE OR CYCLIC DERIVATIVES THEREOF; FORMING BY REACTING ALKALI METAL HALIDE WITH THE CORRESPONDING AMIDINIUM SALT; FLUORINATION OF ALCOHOLS, THIOPHENOLS, ALDEHYDES, AND KETONES MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-0949226-B1 Process for the preparation of acetylene derivatives MITSUI CHEMICALS INC (JP) 2002-07-17 EP disclosed
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds SONODA HIROSHI (JP) 2002-04-11 US disclosed
US-6329529-B1 FOR FLUORINATING OF ORGANIC COMPOUNDS, EFFICIENCY, POLLUTION CONTROL MITSUI CHEMICALS, INC. (JP) 2001-12-11 US 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 (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-20030004348-A1 Halogenating agents AFF1, NAF1, AFF2 DNM1 1433/4885TSHR 570/4885THRB 2263/4885
US-20020042521-A1 Nitrogen-based halogenating agents and process for preparing halogen-containing compounds AFF1, NAF1, CYP2F1 DNM1 917/4885TSHR 984/4885THRB 2811/4885

“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.