Heptane

Heptane

SCHEMBL200855

CCCCCCC.CCOC(=O)CCO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CYP1A2 P05177 1/20 0.52
PAM P19021 2/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
DNM1 Q05193 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Tetradecane SCHEMBL9947966 1.00 DGKA (0.57) DGKAMGAMGAASIMGAM2
Hexane SCHEMBL7946812 0.98 MGAM (0.54) DGKAMGAMGAASIMGAM2
Hexane SCHEMBL25882 0.98 MGAM (0.54) DGKAMGAMGAASIMGAM2
SCHEMBL936467 0.96 DGKA (0.64) DGKACYP1A2PAMLMNAKDM4E
Hexane SCHEMBL8710112 0.96 MGAM (0.52) DGKAMGAMGAASIMGAM2
Pentane SCHEMBL4415680 0.93 GAA (0.54) DGKAMGAMGAASIMGAM2
Heptane SCHEMBL15968770 0.92 ALDH1A1 (0.52) DGKAMGAMGAASIMGAM2
Heptane SCHEMBL2346183 0.92 ALDH1A1 (0.52) DGKAMGAMGAASIMGAM2
Hexane SCHEMBL16566680 0.92 DGKA (0.48) DGKAMGAMGAASIMGAM2
Hexane SCHEMBL5329217 0.90 ALDH1A1 (0.54) DGKAMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
US-20240150305-A1 (METH)ACRYLATES CONTAINING A 4-THIAZOLIDINONE UNIT AND POLYMERS THEREOF COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-05-09 US disclosed
US-11891642-B2 Biocatalytic techniques HYPHA DISCOVERY LIMITED (GB) 2024-02-06 US disclosed
EP-4301738-A1 (METH)ACRYLATES CONTAINING A 4-THIAZOLIDINONE UNIT AND POLYMERS THEREOF COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-01-10 EP disclosed
WO-2023204308-A1 OXAZEPINE DERIVATIVE 帝人ファーマ株式会社 2023-10-26 WO disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
EP-3476832-B1 CATIONIC LIPID EISAI R&D MAN CO LTD (JP) 2023-04-19 EP disclosed
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US disclosed
WO-2001062757-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO 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
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
WO-2000042023-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed
EP-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP 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
US-5270334-A 4-methoxy-5-methyl-pyran-3-ol natural products and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1993-12-14 US disclosed
US-5248790-A Antibiotics E. R. SQUIBB & SONS, INC. (US) 1993-09-28 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 (4 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-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A DGKA 1270/4885MGAM 4806/4885GAA 1322/4885
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A DGKA 1391/4885MGAM 4826/4885GAA 1806/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R DGKA 3692/4885MGAM 2324/4885GAA 295/4885
US-20240150305-A1 (METH)ACRYLATES CONTAINING A 4-THIAZOLIDINONE UNIT AND POLYMERS THEREOF MTR, PAM, TST DGKA 4143/4885MGAM 3135/4885GAA 3336/4885

“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.