Heptane

Heptane

SCHEMBL6454880

CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.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
Heptane SCHEMBL712074 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9106678 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9109508 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL13506304 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1988852 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2592019 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL6015091 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1712572 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Dodecane SCHEMBL1267197 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1883478 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083893-A1 COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2024-03-14 — — US disclosed
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2023-06-06 — — US disclosed
US-20220056020-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2022-02-24 — — US disclosed
CN-107412788-B Novel compound for imaging Tau protein accumulated in brain 国立研究开发法人量子科学技术研究开发机构 2021-06-18 — — CN disclosed
US-20200262829-A1 Novel Compounds for Imaging Tau Proteins That Accumulate in the Brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECH (JP) 2020-08-20 — — US disclosed
US-10604516-B2 Compounds for imaging tau proteins that accumulate in the brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2020-03-31 — — US disclosed
US-10494330-B2 Methyl menthol derivative and cooling agent composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-12-03 — — US disclosed
EP-3275962-B1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2019-10-02 — — EP disclosed
US-20180057447-A1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-03-01 — — US disclosed
EP-3275962-A1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2018-01-31 — — EP disclosed
EP-2767532-B1 NOVEL COMPOUND FOR IMAGING TAU PROTEIN ACCUMULATED IN THE BRAIN NAT INST FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2016-07-13 — — EP disclosed
US-20150239878-A1 Novel Compounds for Imaging Tau Proteins That Accumulate In Brain NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2015-08-27 — — US disclosed
CN-104736524-A Novel compound for imaging Tau protein accumulated in brain NAT INST RADIOLOG 2015-06-24 — — CN disclosed
EP-2767532-A1 NOVEL COMPOUND FOR IMAGING TAU PROTEIN ACCUMULATED IN THE BRAIN National Institute of Radiological Sciences (JP) 2014-08-20 — — EP disclosed
US-20050133371-A1 Apparatus and method for Edman degradation on a microfluidic device utilizing an electroosmotic flow pump WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION 2005-06-23 — — US disclosed
US-20040175822-A1 Apparatus and method for edman degradation using a microfluidic system WEST VIRGINIA UNIVERSITY RESEARCH CORPORATION 2004-09-09 — — US disclosed
US-5798365-A VIRICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-25 — — 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 (8 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-20240083893-A1 COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN MAPT, FABP7, HTT ALDH1A1 1880/4885LMNA 3874/4885HSD17B10 235/4885
US-20180057447-A1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TRPM4, TAS2R41, TRPM2 ALDH1A1 902/4885LMNA 3909/4885HSD17B10 2362/4885
US-11667628-B2 Compounds for imaging tau proteins that accumulate in brain MAPT, FABP7, HTT ALDH1A1 1691/4885LMNA 3929/4885HSD17B10 218/4885
US-10494330-B2 Methyl menthol derivative and cooling agent composition containing same TRPM4, TAS2R41, TRPM2 ALDH1A1 902/4885LMNA 3909/4885HSD17B10 2362/4885
US-20200262829-A1 Novel Compounds for Imaging Tau Proteins That Accumulate in the Brain MAPT, FABP7, HTT ALDH1A1 1870/4885LMNA 3862/4885HSD17B10 225/4885
US-20220056020-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN BRAIN MAPT, FABP7, HTT ALDH1A1 2088/4885LMNA 3890/4885HSD17B10 246/4885
US-10604516-B2 Compounds for imaging tau proteins that accumulate in the brain MAPT, FABP7, HTT ALDH1A1 1701/4885LMNA 3784/4885HSD17B10 239/4885
US-20150239878-A1 Novel Compounds for Imaging Tau Proteins That Accumulate In Brain MAPT, FABP7, HTT ALDH1A1 1901/4885LMNA 3805/4885HSD17B10 246/4885

“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.

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