Heptane

Heptane

SCHEMBL276236

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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 SCHEMBL1680974 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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4365288-A1 POLYNUCLEOTIDE AND MEDICINAL COMPOSITION Kyowa Kirin Co., Ltd. (JP) 2024-05-08 EP disclosed
EP-3778573-B1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO LTD (JP) 2024-04-24 EP disclosed
CN-117769598-A Polynucleotide and pharmaceutical composition 协和麒麟株式会社 2024-03-26 CN disclosed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 US disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-110603330-B Oligonucleotide derivative or salt thereof 协和麒麟株式会社 2023-09-05 CN disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
CN-115996932-A New macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2023-04-21 CN disclosed
US-11629152-B2 Compound with anticancer activity KYOWA KIRIN CO., LTD. (JP) 2023-04-18 US disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed
WO-2004103356-A2 TREATMENT OF EMOTIONAL DYSREGULATION ELI LILLY AND COMPANY (US) 2004-12-02 WO disclosed
WO-2004017977-A2 2- (PHENOXYMETHYL)- AND 2- (PHENYLTHIOMETHYL)-MORPHOLINE DERIVATIVES FOR USE AS SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
WO-2004018440-A1 BENZYL MORPHOLINE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
WO-2001087843-A1 COMPOUNDS FOR TREATING DISORDERS WHERE A DECREASED LEVEL OF PLASMA FFA IS DESIRED NOVO NORDISK A/S (DK) 2001-11-22 WO disclosed
US-6075149-A FUNGICIDES, INSECTICIDEA AND PESTICIDES FOR PROTECTING CROPS BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ALDH1A1 199/4885LMNA 1695/4885HSD17B10 2015/4885
US-11629152-B2 Compound with anticancer activity TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 ALDH1A1 199/4885LMNA 1695/4885HSD17B10 2015/4885
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, RIN1, GRK3 ALDH1A1 3394/4885LMNA 1734/4885HSD17B10 4228/4885

“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.