Butane

Butane

SCHEMBL1238313

CCCC.O=[PH](O)OCc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CETP P11597 3/20 0.42
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.39
IDO1 P14902 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL698616 0.92 TSHR (0.48) ALDH1A1TSHRL3MBTL1MAPK1TDP1
Hydrochloric Acid SCHEMBL7385052 0.90 AGXT (0.46) ALDH1A1TSHRL3MBTL1MAPK1TDP1
SCHEMBL15961256 0.90 TSHR (0.46) ALDH1A1TSHRL3MBTL1MAPK1TDP1
Butane SCHEMBL8010999 0.89 PTGS1 (0.53) ALDH1A1L3MBTL1KMT2ACYP2C19SLC6A2
SCHEMBL20589969 0.87 ALDH1A1 (0.44) ALDH1A1CETPTSHRL3MBTL1MAPK1
Ethylene Glycol SCHEMBL28921702 0.86 TSHR (0.43) ALDH1A1TSHRL3MBTL1MAPK1TDP1
Butane SCHEMBL8002745 0.85 IDO1 (0.42) ALDH1A1TSHRL3MBTL1CYP3A4TDP1
SCHEMBL29035063 0.85 TSHR (0.41) ALDH1A1TSHRL3MBTL1MAPK1TDP1
Butane SCHEMBL9066594 0.84 TSHR (0.44) ALDH1A1CETPTSHRL3MBTL1CYP3A4
Butane SCHEMBL3196642 0.83 AGXT (0.44) ALDH1A1MAPK1IDO1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592487-A Hydroximic acid group-containing diarylethene LSD1/HDACs double-target inhibitor, and preparation method and application thereof 新乡医学院 2020-08-28 CN claimed
CN-107501169-A A kind of trans diarylethene LSD1 inhibitor, its preparation method and application 新乡医学院 2017-12-22 CN claimed
CN-107474011-A A kind of the stibazole class LSD1 inhibitor of 2 phenyl 4, its preparation method and application 新乡医学院 2017-12-15 CN claimed
CN-106045881-B Resveratrol derivative, its preparation method and the application as LSD1 inhibitor 新乡医学院 2017-10-31 CN claimed
CN-106045881-A Resveratrol derivative, preparation method thereof and application of resveratrol derivative serving as LSD1 inhibitor 新乡医学院 2016-10-26 CN claimed
US-9187621-B2 Reflector for light-emitting devices TICONA LLC (US) 2015-11-17 US claimed
EP-2797996-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES Ticona LLC (US) 2014-11-05 EP claimed
US-20140299907-A1 Reflector for Light-Emitting Devices TICONA LLC (US) 2014-10-09 US claimed
WO-2013101277-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES TICONA LLC (US) 2013-07-04 WO claimed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN claimed
US-20070004937-A1 METHODS FOR THE PREPARATION OF PHOSPHONIC ACID DERIVATIVES FERRO CORPORATION (US) 2007-01-04 US claimed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN claimed
US-4100089-A High-voltage insulating material comprising anti-tracking and erosion inhibiting compounds with insulating polymers RAYCHEM CORPORATION (US) 1978-07-11 US claimed
US-20240076305-A1 Phosphonium Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2024-03-07 US disclosed
WO-2024015730-A2 AMPHIPHILIC COMPOUNDS FOR ATTENUATING NEUROTOXICITY OF AMYLOID-BETA OLIGOMERS AND DIAGNOSTIC METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-18 WO disclosed
EP-3455282-B1 POLYSILOXANE HYDRAULIC FLUIDS COMMW SCIENT IND RES ORG (AU) 2023-11-01 EP disclosed
EP-1052254-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2000-11-15 EP disclosed
WO-2000000490-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
CN-87103809-A The method for making of naphthane and indan derivative 1987-12-02 CN disclosed
US-4223071-A ANTITRACKING ADDITIVES, RESISTANCE TO HIGH VOLTAGE ERROSION RAYCHEM CORPORATION (US) 1980-09-16 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 (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-20070004937-A1 METHODS FOR THE PREPARATION OF PHOSPHONIC ACID DERIVATIVES PDXK, PPA1, P2RY6 ALDH1A1 1180/4885CETP 4603/4885TSHR 2771/4885
US-20240076305-A1 Phosphonium Ion Channel Blockers and Methods for Use TRPV1, TRPV5, TRPA1 ALDH1A1 3411/4885CETP 3039/4885TSHR 4454/4885

“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.