Heptane

Heptane

SCHEMBL916291

CCCCCCC.CCOC(=O)CCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
CYP1A2 P05177 1/20 0.55
PAM P19021 2/20 0.55
LMNA P02545 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.50
DNM1 Q05193 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 SCHEMBL331714 0.98 DGKA (0.57) DGKACYP1A2PAMLMNAMEN1
Hexane SCHEMBL8603215 0.96 DGKA (0.55) DGKACYP1A2PAMLMNAMEN1
Dodecanol SCHEMBL29212179 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
Decanol SCHEMBL11043200 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
SCHEMBL29017540 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
Heptane SCHEMBL1238729 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
1-Hexanol SCHEMBL1863211 0.94 DGKA (0.59) DGKACYP1A2PAMLMNAMEN1
Decanol SCHEMBL10945703 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
Hexane SCHEMBL5393961 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1
Cetyl Alcohol SCHEMBL27937278 0.94 DGKA (0.64) DGKACYP1A2PAMLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373831-A1 PROCESSES FOR THE PREPARATION OF ESTETROL AND INTERMEDIATES THEREOF Newchem S.p.A. (IT) 2024-05-29 EP disclosed
CN-117088928-A Process for preparing high-purity estetrol 湖北共同甾体药物研究院有限公司 2023-11-21 CN disclosed
CN-114302889-B Industrial process for preparing high purity estetrol 吉瑞工厂 2023-08-29 CN disclosed
US-11633406-B2 Industrial process for the preparation of high purity estetrol RICHTER GEDEON NYRT. (HU) 2023-04-25 US disclosed
WO-2023001866-A1 PROCESSES FOR THE PREPARATION OF ESTETROL AND INTERMEDIATES THEREOF NEWCHEM S.P.A. (IT) 2023-01-26 WO disclosed
EP-3877395-B1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HIGH PURITY ESTETROL RICHTER GEDEON NYRT (HU) 2022-12-07 EP disclosed
CN-114302889-A Industrial process for the preparation of estetrol of high purity 吉瑞工厂 2022-04-08 CN disclosed
EP-3877395-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HIGH PURITY ESTETROL Richter Gedeon Nyrt. (HU) 2021-09-15 EP disclosed
WO-2021044302-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HIGH PURITY ESTETROL RICHTER GEDEON NYRT. (HU) 2021-03-11 WO disclosed
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
CN-1956954-A Novel androgens ORGANON NV (NL) 2007-05-02 CN disclosed
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP disclosed
EP-0812318-B1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2006-02-08 EP disclosed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO disclosed
CN-1087290-C 4-Aminotetrahydrobenzisoxazole or isothiazole compounds LUNDBECK & CO AS H (DK) 2002-07-10 CN disclosed
US-6174909-B1 FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE H. LUNDBECK A/S (DK) 2001-01-16 US disclosed
US-5998613-A PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 1999-12-07 US disclosed
CN-1176638-A 4-aminotetrahydrobenzisoxazole or-isothiazole compounds LUNDBECK & CO AS H (DK) 1998-03-18 CN disclosed
EP-0812318-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1997-12-17 EP disclosed
WO-1996026929-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-09-06 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 (1 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-11633406-B2 Industrial process for the preparation of high purity estetrol CYP17A1, HSD3B2, HSD3B1 DGKA 1455/4885CYP1A2 28/4885PAM 3152/4885

“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.