SCHEMBL2045446

SCHEMBL2045446

CC(C)C(C)C.CCC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Isobutane SCHEMBL27848533 0.87 TSHR (0.73) TSHRTDP1ALDH1A1
SCHEMBL1936538 0.82
SCHEMBL22537 0.82
SCHEMBL2153288 0.82 TSHR (1.00) TSHRTDP1ALDH1A1
SCHEMBL9302520 0.77 TSHR (0.57) TSHRTDP1
Ammonia Solution, Strong SCHEMBL2316956 0.77
SCHEMBL825420 0.77
Ammonia Solution, Strong SCHEMBL353938 0.77
SCHEMBL19926086 0.77 TSHR (0.89) TSHRTDP1ALDH1A1
Methane SCHEMBL8377146 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106475059-B A kind of couple of C6Isomer has the ferrous metals organic framework material and the preparation method and application thereof of high adsorptive selectivity 华南理工大学 2018-12-11 CN disclosed
US-9117657-B2 Method for filling recesses using pre-treatment with hydrocarbon-containing gas ASM IP HOLDING B.V. (NL) 2015-08-25 US disclosed
CN-104271242-A Catalyst for light naphtha aromatization SAUDI BASIC IND CORP 2015-01-07 CN disclosed
US-20140363983-A1 Method For Filling Recesses Using Pre-Treatment With Hydrocarbon-Containing Gas ASM IP HOLDING B.V. (NL) 2014-12-11 US disclosed
WO-2014071351-A1 METAL-ORGANIC FRAMEWORK FOR THE SEPARATION OF ALKANE ISOMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-08 WO disclosed
US-8198501-B2 Zeolite catalyst for hydroisomerization of light paraffins to produce high octane gasoline CHEVRON U.S.A. INC. (US) 2012-06-12 US disclosed
US-20110130610-A1 ZEOLITE CATALYST FOR HYDROISOMERIZATION OF LIGHT PARAFFINS TO PRODUCE HIGH OCTANE GASOLINE CHEVRON U.S.A. INC. 2011-06-02 US disclosed
CN-100395220-C Method for isomerization of light hydrocarbon CHINA PETROLEUM & CHEMICAL (CN) 2008-06-18 CN disclosed
EP-0650395-A4 LOW TEMPERATURE REGENERATION OF COKE DEACTIVATED REFORMING CATALYSTS. CHEVRON CHEM CO (US) 1996-01-10 EP disclosed
EP-0650395-A1 LOW TEMPERATURE REGENERATION OF COKE DEACTIVATED REFORMING CATALYSTS CHEVRON CHEMICAL COMPANY (US) 1995-05-03 EP disclosed
WO-1994002246-A1 LOW TEMPERATURE REGENERATION OF COKE DEACTIVATED REFORMING CATALYSTS CHEVRON CHEMICAL COMPANY (US) 1994-02-03 WO disclosed
US-5124064-A Cleaning compounds ALLIED-SIGNAL INC. (US) 1992-06-23 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 (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-20110130610-A1 ZEOLITE CATALYST FOR HYDROISOMERIZATION OF LIGHT PARAFFINS TO PRODUCE HIGH OCTANE GASOLINE MAL2, AOC2, CTRB2 TSHR 1831/4885TDP1 3763/4885ALDH1A1 3005/4885

“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.