Pentane

Pentane

SCHEMBL4454016

CC(=O)OC(C)C.CCCCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
PRKCA P17252 2/20 0.41
MAPT P10636 2/20 0.40
GALR3 O60755 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.37
CA1 P00915 1/20 0.37
MAPK1 P28482 1/20 0.36

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
Hexane SCHEMBL372207 0.95 TSHR (0.70) TSHRLMNAALDH1A1CHRM2CHRM4
Hexane SCHEMBL15841420 0.93 TSHR (0.67) TSHRLMNAALDH1A1CHRM2CHRM4
Octane SCHEMBL10883673 0.93 TSHR (0.67) TSHRLMNAALDH1A1PRKCAMAPT
Heptane SCHEMBL2123028 0.93 TSHR (0.67) TSHRLMNAALDH1A1PRKCAMAPT
Heptane SCHEMBL350561 0.93 TSHR (0.67) TSHRLMNAALDH1A1PRKCAMAPT
Butyl Alcohol SCHEMBL15004902 0.89 TSHR (0.61) TSHRLMNAALDH1A1CHRM2CHRM4
Propane SCHEMBL27531646 0.87 TSHR (0.82) TSHRLMNAALDH1A1CHRM2CHRM4
Butyl Chloride SCHEMBL10820809 0.87 TSHR (0.58) TSHRLMNAALDH1A1CHRM2CHRM4
Butyl Alcohol SCHEMBL28312338 0.87 TSHR (0.58) TSHRLMNAALDH1A1CHRM2CHRM4
1-Pentanol SCHEMBL11376862 0.87 TSHR (0.58) TSHRLMNAALDH1A1PRKCAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958845-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 US disclosed
CN-114846012-B 2-isoindole-1, 3, 4-oxadiazole derivatives useful as HDAC6 inhibitors 武田药品工业株式会社 2024-01-26 CN disclosed
US-20230183227-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-15 US disclosed
EP-4034536-A1 2-ISOINDOL-1,3,4-OXADIAZOLE DERIVATIVES USEFUL AS HDAC6 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2022-08-03 EP disclosed
CN-114846012-A 2-isoindole-1, 3, 4-oxadiazole derivatives useful as HDAC6 inhibitors 武田药品工业株式会社 2022-08-02 CN disclosed
EP-3820696-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED PROPERTIES Solutia Inc. (US) 2021-05-19 EP disclosed
WO-2021060567-A1 2-ISOINDOL-1,3,4-OXADIAZOLE DERIVATIVES USEFUL AS HDAC6 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 WO disclosed
US-20210094944-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
CN-112334309-A Poly (vinyl acetal) resin compositions, layers and interlayers having enhanced properties 首诺公司 2021-02-05 CN disclosed
US-10717862-B2 Poly(vinyl acetal) resin compositions, layers, and interlayers having enhanced properties SOLUTIA INC. (US) 2020-07-21 US disclosed
CN-101341113-B Process for preparing octenoic acid derivatives REUTER CHEMISCHE APPBAU KG 2013-07-10 CN disclosed
US-8450519-B2 Process for preparing octenoic acid derivatives REUTER CHEMISCHER APPARATEBAU KG (DE) 2013-05-28 US disclosed
US-8445708-B2 Process for preparing chiral octenoic acid derivatives REUTER CHEMISCHER APPARATEBAU KG (DE) 2013-05-21 US disclosed
US-20120178959-A1 PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES REUTER CHEMISCHER APPARATEBAU KG 2012-07-12 US disclosed
US-20090221848-A1 PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES REUTER CHEMISCHER APPARATEBAU KG (DE) 2009-09-03 US disclosed
CN-101341113-A Process for preparing octenoic acid derivatives REUTER CHEMISCHE APPBAU KG (DE) 2009-01-07 CN 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-20090221848-A1 PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES ALOX5, ALOX12, ALOX15 TSHR 4093/4885LMNA 560/4885ALDH1A1 581/4885
US-20120178959-A1 PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES ALOX5, ALOX12, ALOX15 TSHR 4093/4885LMNA 560/4885ALDH1A1 581/4885
US-11958845-B2 Heterocyclic compound HDAC6, HDAC1, HDAC5 TSHR 3746/4885LMNA 3611/4885ALDH1A1 382/4885
US-20210094944-A1 HETEROCYCLIC COMPOUND HDAC6, HDAC1, HDAC5 TSHR 3746/4885LMNA 3611/4885ALDH1A1 382/4885
US-20230183227-A1 HETEROCYCLIC COMPOUND HDAC6, HDAC1, HDAC5 TSHR 3671/4885LMNA 3608/4885ALDH1A1 401/4885

“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.