Butane

Butane

SCHEMBL1997610

C=C(C)C(=O)OC(C)N(C)C.CCCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.36
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
Propane SCHEMBL28466784 0.94 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL14983 0.92 TSHR (0.43) TSHRALDH1A1THRB
Bromoethane SCHEMBL28289273 0.91 TSHR (0.41) TSHRALDH1A1THRB
Bromide SCHEMBL1302921 0.90 TSHR (0.42) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL129148 0.90 TSHR (0.42) TSHRALDH1A1THRB
Iodide SCHEMBL1302038 0.90 TSHR (0.42) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL5702351 0.90 TSHR (0.42) TSHRALDH1A1THRB
Fluoride SCHEMBL1303213 0.90 TSHR (0.42) TSHRALDH1A1THRB
Methyl Alcohol SCHEMBL21326729 0.90 TSHR (0.42) TSHRALDH1A1THRB
Hexadecane SCHEMBL5163752 0.90 TSHR (0.50) TSHRTHRB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216258-A1 HAIR COSMETIC KAO CORPORATION (JP) 2024-07-04 US disclosed
WO-2023113027-A1 DETERGENT COMPOSITION 味の素株式会社 2023-06-22 WO disclosed
US-9078834-B2 Hair cosmetic KAO CORPORATION (JP) 2015-07-14 US disclosed
US-20140316130-A1 USE OF MICROFABRICATED DEVICES HAMMERSMITH IMANET LIMITED (GB) 2014-10-23 US disclosed
US-20130104923-A1 HAIR COSMETIC KAO CORPORATION (JP) 2013-05-02 US disclosed
US-7964545-B2 Skin cleansing composition KAO CORPORATION (JP) 2011-06-21 US disclosed
US-7960327-B2 Cleansing composition KAO CORPORATION (JP) 2011-06-14 US disclosed
US-20090286707-A1 SKIN CLEANSING COMPOSITION KAO CORPORATION (JP) 2009-11-19 US disclosed
US-20090253603-A1 CLEANSING COMPOSITION KAO CORPORATION (JP) 2009-10-08 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-20130104923-A1 HAIR COSMETIC POLR1C, SAV1, CUTA TSHR 3034/4885ALDH1A1 123/4885THRB 2292/4885
US-20090253603-A1 CLEANSING COMPOSITION SGMS1, SGMS2, DEGS1 TSHR 4798/4885ALDH1A1 4392/4885THRB 4643/4885
US-20240216258-A1 HAIR COSMETIC DSG1, DSC1, POLR1C TSHR 3468/4885ALDH1A1 1340/4885THRB 2744/4885
US-20140316130-A1 USE OF MICROFABRICATED DEVICES MPI, MEN1, TMEM14C TSHR 765/4885ALDH1A1 902/4885THRB 1941/4885
US-20090286707-A1 SKIN CLEANSING COMPOSITION DEGS1, SGMS1, SPTAN1 TSHR 4875/4885ALDH1A1 3740/4885THRB 4834/4885

“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.