Heptane

Heptane

SCHEMBL241041

CC1CCCO1.CCCCCCC

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.41
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33

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
Hexane SCHEMBL1664733 0.98 EPHX1 (0.45) EPHX1ALDH1A1EBPSIGMAR1TDP1
1-Hexanol SCHEMBL28200638 0.90 ALDH1A1 (0.48) EPHX1ALDH1A1EBPSIGMAR1TDP1
1-Pentanol SCHEMBL28201262 0.88 SMN1; SMN2 (0.46) EPHX1ALDH1A1TSHRSMN1; SMN2RAB9A
Propane SCHEMBL29260697 0.85
Butyl Alcohol SCHEMBL28856285 0.85 ALDH1A1 (0.44) EPHX1ALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL28596158 0.85 EPHX1 (0.35) EPHX1ALDH1A1SMN1; SMN2RAB9ACYP1A2
Bromide SCHEMBL28886830 0.84 EPHX1 (0.34) EPHX1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL10067 0.83
SCHEMBL2473867 0.83 NOS2 (0.35)
SCHEMBL31673148 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763225-B Preparation method of anhydrous tris (pentafluorophenyl) borane 卫星化学股份有限公司 2023-02-10 CN claimed
CN-111763225-A Preparation method of anhydrous tris (pentafluorophenyl) borane 浙江卫星石化股份有限公司 2020-10-13 CN claimed
WO-2024136884-A1 SALTS INCLUDING CRYSTALLINE SALTS OF 25-HYDROXY-CHOLEST-5-EN-3-SULFATE AND METHODS FOR PREPARING SAME DURECT CORPORATION (US) 2024-06-27 WO disclosed
WO-2024138203-A1 25-HYDROXY-CHOLEST-5-EN-3-SULFATE CHOLINE, FORMULATIONS THEREOF AND METHODS FOR PREPARING, AND MEDICAL USES OF SAME DURECT CORPORATION (US) 2024-06-27 WO disclosed
US-20240173328-A1 COMBINATION THERAPY INCLUDING A KRAS G12C INHIBITOR AND ONE OR MORE ADDITIONAL PHARMACEUTICALLY ACTIVE AGENTS FOR THE TREATMENT OF CANCERS AMGEN INC. (US) 2024-05-30 US disclosed
EP-4359420-A1 25-HYDROXY-CHOLEST-5-EN-3-SULFATE CHOLINE AND METHODS FOR PREPARING, AND USES OF, SAME Durect Corporation (US) 2024-05-01 EP disclosed
US-11918584-B2 Combination therapy including a KRASG12C inhibitor and one or more additional pharmaceutically active agents for the treatment of cancers AMGEN INC. (US) 2024-03-05 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-4234546-A2 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND Amgen Inc. (US) 2023-08-30 EP disclosed
US-20230192681-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2023-06-22 US disclosed
US-20230192682-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2023-06-22 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
EP-2307393-A1 A PROCESS FOR THE PREPARATION OF THE APOPTOSIS PROMOTER ABT-263 Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
WO-2009155386-A1 A PROCESS FOR THE PREPARATION OF THE APOPTOSIS PROMOTER ABT-263 ABBOTT LABORATORIES (US) 2009-12-23 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 (9 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX1 3100/4885ALDH1A1 2858/4885EBP 145/4885
US-20240173328-A1 COMBINATION THERAPY INCLUDING A KRAS G12C INHIBITOR AND ONE OR MORE ADDITIONAL PHARMACEUTICALLY ACTIVE AGENTS FOR THE TREATMENT OF CANCERS KRAS, NRAS, HRAS EPHX1 2471/4885ALDH1A1 2241/4885EBP 3310/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX1 3100/4885ALDH1A1 2858/4885EBP 145/4885
US-20230192681-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS EPHX1 2316/4885ALDH1A1 4088/4885EBP 3282/4885
US-20230192682-A1 IMPROVED SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS EPHX1 3126/4885ALDH1A1 4395/4885EBP 3839/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX1 3100/4885ALDH1A1 2858/4885EBP 145/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX1 3100/4885ALDH1A1 2858/4885EBP 145/4885
US-11918584-B2 Combination therapy including a KRASG12C inhibitor and one or more additional pharmaceutically active agents for the treatment of cancers KRAS, NRAS, HRAS EPHX1 3017/4885ALDH1A1 2233/4885EBP 3273/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX1 3100/4885ALDH1A1 2858/4885EBP 145/4885

“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.