Pentane

Pentane

SCHEMBL323650

CCCCC.CCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
LMNA P02545 3/20 1.00
THRB P10828 1/20 0.67
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC22A1 O15245 3/20 0.46
SLC22A2 O15244 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DNM1 Q05193 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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 SCHEMBL9633144 1.00 TSHR (1.00) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL1234 1.00
Pentane SCHEMBL9633320 1.00 TSHR (1.00) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL9453163 1.00 TSHR (1.00) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL9634178 1.00 TSHR (1.00) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL25431892 0.94
Pentane SCHEMBL436496 0.94 TSHR (0.88) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL8650228 0.94 TSHR (0.88) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL7043796 0.94 TSHR (0.88) TSHRLMNATHRBALDH1A1TDP1
Pentane SCHEMBL3297234 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085322-B Metal-organic framework material and preparation method and application thereof 内蒙古大学 2024-07-05 CN claimed
CN-118026909-B Preparation method of 3, 3-diaryl indolenine series compounds 江西师范大学 2024-06-21 CN claimed
CN-118085322-A Metal-organic framework material and preparation method and application thereof 内蒙古大学 2024-05-28 CN claimed
CN-118026909-A Preparation method of 3, 3-diaryl indolenine series compounds 江西师范大学 2024-05-14 CN claimed
CN-117551023-A Preparation method and application of N-thio-phenyl phthalimide compound 太原理工大学 2024-02-13 CN claimed
CN-114409609-B Preparation method of sulfonyl substituted 4,5,6, 7-tetrahydro-1, 3-oxazepan 遵义医科大学 2024-02-02 CN claimed
CN-117447370-A Preparation method of aggregation-induced emission material tetraaryl divinyl sulfide 山西蓬勃健康科技有限公司 2024-01-26 CN claimed
CN-116056680-A Cosmetic sunscreen composition, method for producing a cosmetic sunscreen composition and use of a cosmetic sunscreen composition 欧莱雅 2023-05-02 CN claimed
CN-115467724-A Light hydrocarbon separation coupling enhanced organic Rankine combined cycle power generation system 西安石油大学 2022-12-13 CN claimed
CN-114409609-A Preparation method of sulfonyl substituted 4,5,6, 7-tetrahydro-1, 3-oxazepan 遵义医科大学 2022-04-29 CN claimed
US-20110172481-A1 PROCESS OF PRODUCING 1,1 DIARYL ALKANES AND DERIVATIVES THEREOF EVONIK DEGUSSA GMBH (DE) 2011-07-14 US claimed
WO-2010097811-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP claimed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP claimed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP claimed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP claimed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO claimed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US claimed
WO-1988005653-A1 TOPICAL COMPOSITION FOR STIMULATING HAIR GROWTH WITH STABLE FREE RADICALS PROCTOR PETER H (US) 1988-08-11 WO claimed
EP-0001910-B1 PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF MONSANTO COMPANY (US) 1981-09-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110172481-A1 PROCESS OF PRODUCING 1,1 DIARYL ALKANES AND DERIVATIVES THEREOF PFAS, PKD1, AFF1 TSHR 4025/4885LMNA 2107/4885THRB 4628/4885

“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.