Decane

Decane

SCHEMBL503047

CC(C)(C)OO.CCCCCCCCCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 4/20 0.50
THRB P10828 2/20 0.50
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CES2 O00748 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CES1 P23141 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
DNM1 Q05193 4/20 0.38

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
Hexadecane SCHEMBL16712179 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTHRBLMNAMEN1
Octane SCHEMBL5960977 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTHRBLMNAMEN1
Nonane SCHEMBL10465898 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTHRBLMNAMEN1
Tert-Butyl Hydroperoxide SCHEMBL27266819 0.97 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNAMEN1
Tert-Butyl Hydroperoxide SCHEMBL28247696 0.90 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNAMEN1
Tert-Butyl Hydroperoxide SCHEMBL27389585 0.83 ALDH1A1 (0.69) ALDH1A1TSHR
Tert-Butyl Hydroperoxide SCHEMBL8125721 0.82 ALDH1A1 (0.61) ALDH1A1TSHRTHRBLMNAMEN1
Heptanoate SCHEMBL27428584 0.82 GPR84 (0.71) ALDH1A1TSHRLMNAMEN1KMT2A
Dodecanoate SCHEMBL27278835 0.82 GPR84 (0.71) ALDH1A1TSHRLMNAMEN1KMT2A
Tert-Butyl Hydroperoxide SCHEMBL8131481 0.80 ALDH1A1 (0.47) ALDH1A1TSHRTHRBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003239-B Bicyclic diterpenoid derivative, preparation method and application thereof 上海中医药大学 2024-05-17 CN claimed
CN-116924430-A Micro-mesoporous composite titanium-containing borosilicate molecular sieve, and preparation method and application thereof 华东师范大学 2023-10-24 CN claimed
CN-116003239-A Bicyclic diterpenoid derivative, preparation method and application thereof 上海中医药大学 2023-04-25 CN claimed
CN-113831303-A Method for preparing hexafluoropropylene oxide by epoxidation of hexafluoropropylene 浙江大学衢州研究院 2021-12-24 CN claimed
CN-105541734-B Method for efficiently preparing quinazolinone compound 江西师范大学 2018-09-18 CN claimed
US-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF NEURODERM, LTD. (IL) 2024-06-27 US disclosed
CN-116003239-B Bicyclic diterpenoid derivative, preparation method and application thereof 上海中医药大学 2024-05-17 CN disclosed
CN-117964581-A Method for epoxidation reaction of pinene 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117945962-A Synthesis method of bicalutamide 中国人民大学 2024-04-30 CN disclosed
CN-117736164-A Preparation method of hexafluoropropylene oxide 内蒙古永和氟化工有限公司 2024-03-22 CN disclosed
EP-4305049-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2024-01-17 EP disclosed
CN-115337929-B Composite carbon material loaded with aluminum monoatoms and iron monoatoms and preparation method and application thereof 宁波杭州湾新材料研究院 2023-11-10 CN disclosed
US-7816401-B2 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D KANADA REGINA MIKIE 2010-08-12 US disclosed
EP-2145886-A1 TWELVE-MEMBERED CYCLOMACROLACTAM DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-01-20 EP disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
US-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-18 US disclosed
CN-101282967-A Total synthesis of pladienolide b and pladienolide D EISAI R&D MAN CO LTD (JP) 2008-10-08 CN disclosed
EP-1935893-A1 TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D Eisai R&D Management Co., Ltd. (JP) 2008-06-25 EP disclosed
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D EISAI R&D MANAGEMENT CO., LTD. 2008-01-24 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-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, HDAC1, HDAC3 ALDH1A1 2190/4885TSHR 693/4885THRB 1853/4885
US-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF COMT, TH, DDT ALDH1A1 398/4885TSHR 2036/4885THRB 2537/4885
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR ALDH1A1 1265/4885TSHR 4448/4885THRB 4495/4885
US-20100204490-A1 PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D CYP8B1, PLA2G2D, HPD ALDH1A1 2637/4885TSHR 2691/4885THRB 1685/4885
US-20080021226-A1 Process for total synthesis of pladienolide B and pladienolide D TPD52L2, CYP8B1, HPD ALDH1A1 2011/4885TSHR 2611/4885THRB 2535/4885

“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.