Sugi Predict

Sugi Predict / Compounds / Heptane

Heptane

Heptane

SCHEMBL200854

CCCCCCC.CCOC(C)=O.CO

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.70
▸ LMNA P02545 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ FAAH O00519 3/20 0.52
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 3/20 0.47
▸ NAAA Q02083 1/20 0.46
▸ DGKA P23743 1/20 0.46
▸ CES2 O00748 4/20 0.45
▸ CES1 P23141 3/20 0.44
▸ EPHX1 P07099 1/20 0.43

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
Octane SCHEMBL10363768 1.00 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL27657912 1.00 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2674826 0.98 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL18725336 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9107982 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL643237 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL276236 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1190938 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL15345911 0.97 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2599527 0.97 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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272056-A1 New antitumor alkaloids HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1988-06-22 — — EP claimed
US-11891642-B2 Biocatalytic techniques HYPHA DISCOVERY LIMITED (GB) 2024-02-06 — — 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
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 — — US disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 — — US disclosed
EP-3700907-B1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AG (DE) 2022-03-09 — — EP disclosed
US-20220025416-A1 BIOCATALYTIC TECHNIQUES HYPHA DISCOVERY LIMITED (GB) 2022-01-27 — — US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 — — US disclosed
EP-3887512-A2 BIOCATALYTIC TECHNIQUES Hypha Discovery Ltd. (GB) 2021-10-06 — — EP disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 — — US disclosed
US-20040171099-A1 Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations PROMEGA CORPORATION 2004-09-02 — — US disclosed
WO-2004027378-A2 LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY PROMEGA CORPORATION (US) 2004-04-01 — — WO disclosed
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 — — EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 — — US disclosed
CN-1351602-A Novel Pharmaceutically Active Compounds ASTRAZENECA AB (SE) 2002-05-29 — — CN disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 — — EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 — — WO 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 (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-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A ALDH1A1 2278/4885LMNA 3981/4885HSD17B10 2887/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP ALDH1A1 720/4885LMNA 1600/4885HSD17B10 280/4885
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A ALDH1A1 2437/4885LMNA 4092/4885HSD17B10 3149/4885
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 ALDH1A1 1120/4885LMNA 2519/4885HSD17B10 4267/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885LMNA 2972/4885HSD17B10 4164/4885

“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.