Pentane

Pentane

SCHEMBL88249

CCCCC.[N-]=[N+]=N.[N-]=[N+]=[N-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
CA1 P00915 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Decane SCHEMBL4288830 0.90 TSHR (0.53) TSHRLMNACA1CA6CA5A
Decane SCHEMBL4288829 0.86 TSHR (0.57) TSHRLMNACA1CA6CA5A
Pentane SCHEMBL28529129 0.85 TSHR (0.58) TSHRLMNACA1CA9THRB
Pentane SCHEMBL28529130 0.85
Pentane SCHEMBL28840509 0.81 TSHR (0.64) TSHRLMNATHRBALDH1A1TDP1
Propane SCHEMBL8326138 0.81
Butylamine SCHEMBL23930820 0.78 DNM1 (0.50) TSHRLMNACA1CA6CA5A
SCHEMBL8047792 0.78
SCHEMBL14746519 0.76
SCHEMBL1637 0.76 CA1 (0.33) TSHRLMNACA1CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384195-B2 Difunctional biphenyl compounds, preparation, and uses ARIANEGROUP SAS (FR) 2022-07-12 US claimed
EP-3749637-B1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ARIANEGROUP SAS (FR) 2021-11-10 EP claimed
US-20210324046-A1 SYSTEMS AND METHODS FOR MANUFACTURE OF ENDOTOXIN-FREE HEMOGLOBIN-BASED DRUG SUBSTANCE GOLD BLAZE, LTD. (SG) 2021-10-21 US claimed
WO-2021072194-A1 STABILIZED HEMOGLOBIN COMPOSITIONS AND PHARMACEUTICAL FORMULATIONS THEREOF MEDICAL TECHNOLOGY ASSOCIATES II, INC. (US) 2021-04-15 WO claimed
US-20200399419-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ARIANEGROUP SAS (FR) 2020-12-24 US claimed
EP-3749637-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ArianeGroup SAS (FR) 2020-12-16 EP claimed
WO-2019155169-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ARIANEGROUP SAS (FR) 2019-08-15 WO claimed
US-20120220529-A1 NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN IKOR, INC. 2012-08-30 US claimed
US-20120046231-A1 COMPOSITION AND PROCESS FOR SYNTHESIZING POLYMERIZED HUMAN SERUM ALBUMIN FOR APPLICATIONS IN TRANSFUSION MEDICINE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-02-23 US claimed
US-20120028899-A1 COMPOSITION AND PROCESS FOR SYNTHESIZING TENSE AND RELAXED STATE POLYMERIZED HEMOGLOBIN NIH - DEITR 2012-02-02 US claimed
US-4931549-A Process for aryl-quinone and aryl-naphthoquinone diazide sulfonic acids HOECHST CELANESE CORPORATION (US) 1990-06-05 US claimed
WO-2024103022-A1 POLYDOPAMINE ENCAPSULATED MATERIALS AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2024-05-16 WO disclosed
EP-4358997-A1 HEMOGLOBIN-BASED OXYGEN CARRIERS AND METHODS OF MAKING AND USING THEREOF Ohio State Innovation Foundation (US) 2024-05-01 EP disclosed
US-20230330192-A1 METHODS OF USING POLYMERIZED HUMAN SERUM ALBUMIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-19 US disclosed
WO-2023086152-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES OHIO STATE INNOVATION FOUNDATION (US) 2023-05-19 WO disclosed
US-5691453-A BLOOD SUBSTITUTES BIOPURE CORPORATION (US) 1997-11-25 US disclosed
US-5691452-A DEOXYGENATION; WRAPPING IN A FOIL LAMINATE BIOPURE CORPORATION (US) 1997-11-25 US disclosed
WO-1996040782-A1 SEPARATION OF HEMOGLOBIN ON HYDROXYAPATITE USING HPLC BIOPURE CORPORATION (US) 1996-12-19 WO disclosed
WO-1996029346-A1 STABLE POLYMERIZED HEMOGLOBIN BLOOD-SUBSTITUTE BIOPURE CORPORATION (US) 1996-09-26 WO disclosed
EP-0063043-A1 Cyclized rubber film-forming negative photoresist composition PHILIP A. HUNT CHEMICAL CORPORATION (US) 1982-10-20 EP 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 (2 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-20200399419-A1 DIFUNCTIONAL BIPHENYL COMPOUNDS, PREPARATION, AND USES ALK, ALKBH3, AHR TSHR 3337/4885LMNA 2448/4885CA1 4838/4885
US-11384195-B2 Difunctional biphenyl compounds, preparation, and uses ALK, ALKBH3, AHR TSHR 3337/4885LMNA 2448/4885CA1 4838/4885

“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.