Heptane

Heptane

SCHEMBL308955

CCCCCCC.CO.ClC(Cl)Cl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
DNM1 Q05193 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43

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
Heptane SCHEMBL11008818 0.97 TSHR (0.53) TSHRTHRBALDH1A1LMNAMEN1
Hexane SCHEMBL120684 0.96 TSHR (0.50) TSHRTHRBALDH1A1LMNAMEN1
Hexane SCHEMBL27710370 0.93 TSHR (0.47) TSHRTHRBALDH1A1LMNAMEN1
Hexane SCHEMBL15007841 0.93 TSHR (0.47) TSHRTHRBALDH1A1LMNAMEN1
Chloroform SCHEMBL28294775 0.93 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Hexadecane SCHEMBL2833679 0.93 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Octane SCHEMBL4077297 0.93 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL349511 0.93 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL7599758 0.90 LMNA (0.56) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL11026529 0.89 TSHR (0.61) TSHRTHRBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709727-B2 Antiviral drugs IDAC THERANOSTICS, INC. (JP) 2020-07-14 US disclosed
US-20190022126-A1 ANTIVIRAL DRUGS IDAC THERANOSTICS, INC. (JP) 2019-01-24 US disclosed
EP-3395363-A1 ANTIVIRAL DRUG IDAC Theranostics, Inc. (JP) 2018-10-31 EP disclosed
US-20130059361-A1 Compositions and Methods for Effecting the Levels of High Density Lipoprotein (HDL) Cholesterol and Apolipoprotein AI, Very Low Density Lipoprotein (VLDL) Cholesterol and Low Density Lipoprotein (LDL) Cholesterol THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2013-03-07 US disclosed
US-8343494-B2 Antibodies against LLG polypeptides of the triacylglycerol lipase family AVENTIS PHARMACEUTICALS INC. (US) 2013-01-01 US disclosed
US-20120114660-A1 Antibodies Against LLG Polypeptides of the Triacylglycerol Lipase Family AVENTIS PHARMACEUTICALS INC. (US) 2012-05-10 US disclosed
US-20120079626-A1 LIPASE POLYPEPTIDE UNIVERSITY OF YORK (GB) 2012-03-29 US disclosed
US-8093452-B2 Transgenic cell comprising vector expressing patatin; for use as tool in identifying modulators of plant growth UNIVERSITY OF YORK (GB) 2012-01-10 US disclosed
US-7579447-B2 Antibodies against LLG polypeptides of the triacylglycerol lipase family AVENTIS PHARMACEUTICALS INC. (US) 2009-08-25 US disclosed
US-20090208479-A1 Compositions and Methods for Effecting the Levels of High Density Lipoprotein (HDL) Cholesterol and Apolipoprotein AI, Very Low Density Lipoprotein (VLDL) Cholesterol and Low Density Lipoprotein (LDL) Cholesterol THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2009-08-20 US disclosed
WO-1996017054-A1 METHOD AND COMPOSITIONS FOR REDUCING CHOLESTEROL ABSORPTION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1996-06-06 WO disclosed
US-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US disclosed
US-5411956-A Polylysine NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-05-02 US disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
US-5376640-A Administering purithionin or polylysine NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-12-27 US disclosed
US-5270334-A 4-methoxy-5-methyl-pyran-3-ol natural products and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1993-12-14 US disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5248790-A Antibiotics E. R. SQUIBB & SONS, INC. (US) 1993-09-28 US disclosed
US-4745202-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1988-05-17 US disclosed
US-4503218-A BACTERICIDE E. R. SQUIBB & SONS, INC. (US) 1985-03-05 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 (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-20120114660-A1 Antibodies Against LLG Polypeptides of the Triacylglycerol Lipase Family LIPG, LPL, LIPC TSHR 544/4885THRB 1067/4885ALDH1A1 3758/4885
US-10709727-B2 Antiviral drugs DOCK2, DOCK11, HAVCR2 TSHR 4774/4885THRB 4335/4885ALDH1A1 2649/4885
US-20190022126-A1 ANTIVIRAL DRUGS DOCK2, DOCK11, HAVCR2 TSHR 4774/4885THRB 4335/4885ALDH1A1 2649/4885

“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.