SCHEMBL1317865

SCHEMBL1317865

CC(C)NC(C)C.[Li]CCCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
EPHX1 P07099 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5964642 0.97 TDP1 (0.42) TDP1MEN1FAAHMAPK1KMT2A
Hexane SCHEMBL9763562 0.82 TDP1 (0.57) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL11217163 0.79
Hexane SCHEMBL9763768 0.79 TDP1 (0.53) TDP1MEN1FAAHMAPK1KMT2A
Heptane SCHEMBL17938082 0.79 TSHR (0.53) TDP1MEN1FAAHMAPK1KMT2A
SCHEMBL27341055 0.78 TDP1 (0.61) TDP1
SCHEMBL9292699 0.78
SCHEMBL6369906 0.78 TSHR (0.50) TDP1MEN1KMT2ATSHRLMNA
SCHEMBL811 0.78
Heptane SCHEMBL2515743 0.77 TSHR (0.50) TDP1MEN1FAAHMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103435619-B A kind of Pochonicine analogue or its pharmacy acceptable salt and application thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed
CN-103435619-A Pochonicine analogue or pharmaceutically acceptable salts of pochonicine analogue and application of pochonicine analogue or pharmaceutically acceptable salts of pochonicine analogue CHINESE ACAD INST CHEMISTRY 2013-12-11 CN disclosed
CN-102816144-A Preparation method of star oligothiophene derivative UNIV SOUTH CHINA TECH 2012-12-12 CN disclosed
US-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-10 US disclosed
CN-101830846-A Halogenated alkylthio pyridine derivate and preparation method thereof OKEANOS TECH CO LTD 2010-09-15 CN disclosed
US-20100093744-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed
EP-2072522-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-24 EP disclosed
EP-2048153-A1 SUBSTITUTED SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP disclosed
CN-1241998-A Synthesis of benzo (F) quinolinones LILLY CO ELI (US) 2000-01-19 CN disclosed
US-4598086-A ANTIDERPRESSANTS; HYPERTENSIVE AGENTS SYNTHELABO, (FR) 1986-07-01 US disclosed
US-4567177-A Imidazoline derivatives as α2 -antagonists SYNTHELABO (FR) 1986-01-28 US disclosed
US-4237300-A CHEMICAL INTERMEDIATES FOR IMIDAZO(1,2-A)PYRIDINE ANTHELMINTIC AGENTS AS WELL AS BEING A FUNGICIDE MERCK & CO., INC. (US) 1980-12-02 US disclosed
US-4177274-A ANTHELMINTICS MERCK & CO., INC. (US) 1979-12-04 US disclosed
US-4146642-A ANTHELMINTICS MERCK & CO., INC. (US) 1979-03-27 US disclosed
US-4105767-A ANTHELMINTICS MERCK & CO., INC. (US) 1978-08-08 US disclosed
US-4096264-A ANTHELMINTICS MERCK & CO., INC. (US) 1978-06-20 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 (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-20100093744-A1 THIOGLUCOSE SPIROKETAL DERIVATIVE AND USE THEREOF AS THERAPEUTIC AGENT FOR DIABETES SLC5A1, SLC5A2, GCKR TDP1 4561/4885MEN1 2235/4885FAAH 4673/4885
US-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES SLC5A1, OR10J3, AKR1C3 TDP1 4738/4885MEN1 1421/4885FAAH 3714/4885

“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.