Heptane

Heptane

SCHEMBL1190938

CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.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 SCHEMBL9107982 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL11904142 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL276236 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778573-B1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO LTD (JP) 2024-04-24 EP disclosed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
EP-3283642-B1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RES CENTER HOLDING B V (NL) 2023-10-11 EP disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-11629152-B2 Compound with anticancer activity KYOWA KIRIN CO., LTD. (JP) 2023-04-18 US disclosed
US-11591344-B2 2023-02-28 US disclosed
CN-114502534-A BET degradant 协和麒麟株式会社 2022-05-13 CN disclosed
US-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2022-02-24 US disclosed
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2021-12-28 US disclosed
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
US-6410684-B1 ENZYME INHIBITOR FOR USE IN THE TREATMENT OF THROMBOSIS AKZO NOBEL N.V. (NL) 2002-06-25 US 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
CN-1212704-A Serine protease inhibitors AKZO NOBEL NV (NL) 1999-03-31 CN disclosed
EP-0886647-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-12-30 EP disclosed
WO-1998007308-A2 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1998-02-26 WO disclosed
WO-1997031937-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
EP-0705246-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 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 (5 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-20220056540-A1 PROGNOSTIC BIOMARKERS FOR TTK INHIBITOR CHEMOTHERAPY TTBK1, CTNNB1, TTK ALDH1A1 2286/4885LMNA 1795/4885HSD17B10 1521/4885
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-11591344-B2 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, TP53 ALDH1A1 84/4885LMNA 2141/4885HSD17B10 1134/4885
US-11208696-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK ALDH1A1 2286/4885LMNA 1795/4885HSD17B10 1521/4885
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

“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.