Heptane

Heptane

SCHEMBL197691

CCCC(=O)O.CCCCCCC

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.79
PPARG P37231 7/20 0.79
PPARD Q03181 7/20 0.79
PPARA Q07869 7/20 0.79
HDAC11 Q96DB2 5/20 0.79
TSHR P16473 4/20 0.79
PTPN1 P18031 3/20 0.79
FABP4 P15090 3/20 0.79
ALDH1A1 P00352 2/20 0.79
TLR2 O60603 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
KMT2A Q03164 2/20 0.79
ALOX15 P16050 2/20 0.79
HSD17B10 Q99714 2/20 0.79
SLC22A6 Q4U2R8 1/20 0.79
SLC22A8 Q8TCC7 1/20 0.79
MEN1 O00255 1/20 0.79
ESR1 P03372 1/20 0.79
PDE4A P27815 1/20 0.79
PDE3A Q14432 1/20 0.79

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
Nonane SCHEMBL28234147 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Tetradecane SCHEMBL27616455 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Octane SCHEMBL7563355 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL7403977 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Decane SCHEMBL8483044 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Hexadecane SCHEMBL27980697 1.00 GPR84 (0.79) GPR84PPARGPPARDPPARAHDAC11
Heptane SCHEMBL8097495 0.97 GPR84 (0.75) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL23014527 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL59956 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL7471228 0.97 FFAR3 (0.81) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956984-A Novel microparticles containing active substances 巴斯夫欧洲公司 2024-04-30 CN disclosed
US-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BY) 2024-04-04 US disclosed
US-11845758-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms PRINTNET KERESKEDELMI ÉS SZOLGÁLTATÓ KFT. (HU) 2023-12-19 US disclosed
EP-4276102-A2 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS Printnet Kereskedelmi és Szolgáltató Kft. (HU) 2023-11-15 EP disclosed
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2023-10-26 US disclosed
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
US-11746112-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2023-09-05 US disclosed
EP-3781263-B1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS PRINTNET KERESKEDELMI ES SZOLGALTATO KFT (HU) 2023-07-12 EP disclosed
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-11673880-B2 Solid state forms of ivosidenib ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2023-06-13 US disclosed
US-4154943-A Preparation of vincadifformine UNIVERSITY OF VERMONT (US) 1979-05-15 US disclosed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 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 (6 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 GPR84 873/4885PPARG 1141/4885PPARD 561/4885
US-11845758-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms MYH2, MYLK2, MYO1B GPR84 4023/4885PPARG 3829/4885PPARD 4039/4885
US-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CDK2, CCNK GPR84 3414/4885PPARG 1071/4885PPARD 1390/4885
US-11673880-B2 Solid state forms of ivosidenib IDH1, IDH3B, FLT3 GPR84 4726/4885PPARG 4754/4885PPARD 4520/4885
US-11746112-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms MYH2, MYLK2, MYO1B GPR84 4023/4885PPARG 3829/4885PPARD 4039/4885
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B GPR84 4023/4885PPARG 3829/4885PPARD 4039/4885

“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.