Heptane

Heptane

SCHEMBL1680974

CCCCCCC.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
LMNA P02545 1/20 0.74
HSD17B10 Q99714 1/20 0.74
FAAH O00519 3/20 0.53
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.48
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.48
CES2 O00748 4/20 0.46
CES1 P23141 3/20 0.46
EPHX1 P07099 1/20 0.45

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
Dodecane SCHEMBL3308504 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2399914 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1614041 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Dodecane SCHEMBL1747351 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1190938 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9107982 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL11904142 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL276236 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexadecane SCHEMBL3291441 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL18725336 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
CN-113801138-A Method for preparing lanimivir octanoate intermediate by one-pot method 博瑞生物医药(苏州)股份有限公司 2021-12-17 CN disclosed
CN-113801082-A Preparation method of lanimivir octanoate 博瑞生物医药(苏州)股份有限公司 2021-12-17 CN disclosed
CN-107428651-B Liquid crystalline compound, liquid crystal composition, liquid crystal-encapsulated composite fiber, fiber aggregate, fiber composite, and liquid crystal display element 捷恩智株式会社 2021-06-22 CN disclosed
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2021-03-04 US disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
CN-108129404-B Synthesis method of chiral piperazinone derivative 凯瑞斯德生化(苏州)有限公司 2020-05-01 CN disclosed
EP-2906537-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2020-03-11 EP disclosed
CN-110041250-A The benzene compound being substituted EPIZYME股份有限公司 2019-07-23 CN disclosed
US-6218365-B1 FOR TREATING OR PREVENTING A THROMBIN-RELATED DISEASE AKZO NOBEL N.V. (NL) 2001-04-17 US disclosed
EP-1012164-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 2000-06-28 EP disclosed
CN-1249736-A Liquid-crystal compounds, liquid-crystal composition contg. same, and liquid-crystal display element contg. same CHISSO CORP (JP) 2000-04-05 CN disclosed
EP-0976703-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2000-02-02 EP disclosed
EP-0956293-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1999-11-17 EP disclosed
CN-1212705-A Serine protease inhibitors AKZO NOBEL NV (NL) 1999-03-31 CN disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1998007308-A2 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1998-02-26 WO disclosed
WO-1997031939-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO 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-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL ALDH1A1 358/4885LMNA 1888/4885HSD17B10 1243/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL ALDH1A1 358/4885LMNA 1888/4885HSD17B10 1243/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL ALDH1A1 358/4885LMNA 1888/4885HSD17B10 1243/4885

“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.