Pentane

Pentane

SCHEMBL9108978

CC(C)(C)F.CCCCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.43
FAAH O00519 8/20 0.39
CES1 P23141 6/20 0.38
CES2 O00748 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
EPHX1 P07099 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33

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
Pentane SCHEMBL28746066 0.87 TSHR (0.64) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL3463399 0.85 TSHR (0.50) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL2022227 0.82 TSHR (0.70) TSHRLMNATHRBMEN1KMT2A
Pentane SCHEMBL27366581 0.80 TSHR (0.54) TSHRLMNATHRBFAAHCES1
Hexane SCHEMBL20877590 0.78 TSHR (0.58) TSHRLMNATHRBFAAHCES1
Hexane SCHEMBL9714516 0.77 FAAH (0.48) TSHRLMNATHRBFAAHCES1
Pentane SCHEMBL2999398 0.77
Pentane SCHEMBL27274857 0.77
Pentane SCHEMBL9633320 0.76 TSHR (1.00) TSHRLMNATHRBMEN1KMT2A
Pentane SCHEMBL1234 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199222-B2 Removal of light fluoroalkanes from hydrocarbon streams EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-12-01 US disclosed
US-20130259770-A1 REMOVAL OF LIGHT FLUOROALKANES FROM HYDROCARBON STREAMS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-10-03 US disclosed
US-8487155-B2 Removal of light fluoroalkanes from hydrocarbon streams EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-07-16 US disclosed
US-20120142792-A1 REMOVAL OF LIGHT FLUOROALKANES FROM HYDROCARBON STREAMS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-07 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-20120142792-A1 REMOVAL OF LIGHT FLUOROALKANES FROM HYDROCARBON STREAMS C3AR1, C5, HRH4 TSHR 1448/4885LMNA 3873/4885THRB 3855/4885
US-20130259770-A1 REMOVAL OF LIGHT FLUOROALKANES FROM HYDROCARBON STREAMS C3AR1, C5, HRH4 TSHR 1473/4885LMNA 3734/4885THRB 3746/4885

“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.