SCHEMBL9626017

SCHEMBL9626017

CC(C)(C)OCCCC=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9624718 0.91 TSHR (0.46) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL2095250 0.91 TSHR (0.46) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL2096128 0.84
SCHEMBL10949134 0.79 TSHR (0.42) HIF1ATSHRMAPTFAAHTRPV1
SCHEMBL10943870 0.78 HIF1A (0.36) HIF1ATSHRMAPTFAAHTRPV1
SCHEMBL12526532 0.76 HIF1A (0.35) HIF1ATSHRMAPT
SCHEMBL30750305 0.76 HIF1A (0.35) HIF1ATSHRMAPT
SCHEMBL12403539 0.75 TSHR (0.42) TSHRALDH1A1
SCHEMBL7242764 0.75
SCHEMBL20565698 0.75 HIF1A (0.43) HIF1ATSHRMAPTFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024532-B2 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1984-08-15 EP claimed
US-4414420-A CATALYTIC HYDROFORMYLATION OF CORRESPONDING UNSATURATED ETHER DAVY MCKEE (OIL & CHEMICALS) LIMITED (GB) 1983-11-08 US claimed
EP-0018161-B1 ALDEHYDE-ETHERS AND PROCESS FOR THEIR PRODUCTION DAVY McKEE (LONDON) LIMITED (GB) 1983-05-25 EP claimed
US-4383125-A CHEMICAL INTERMEDIATES FOR 6-BUTYROLACTONE, 1,4-BUTANEDIOL, AND TETRAHYDROFURAN DAVY MCKEE (OIL & CHEMICALS) LIMITED (GB) 1983-05-10 US claimed
EP-0024532-B1 TERT. BUTOXYBUTANALES AND BUTANOLES AND BIS-TERT. BUTOXY-PENTANALES AND PENTANOLES, THEIR PRODUCTION AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1982-06-23 EP claimed
EP-0024532-A1 Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes BASF Aktiengesellschaft (DE) 1981-03-11 EP claimed
EP-0018161-A1 Aldehyde-ethers and process for their production DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP claimed
WO-2020015698-A1 METHOD FOR PREPARING COAGULATION FACTOR XIA INHIBITOR AND INTERMEDIATE THEREOF 江苏恒瑞医药股份有限公司 2020-01-23 WO disclosed
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
EP-0024532-A1 Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes BASF Aktiengesellschaft (DE) 1981-03-11 EP disclosed
EP-0024532-A1 Tert. butoxybutanales and butanoles and bis-tert. butoxy-pentanales and pentanoles, their production and their use as perfumes BASF Aktiengesellschaft (DE) 1981-03-11 EP disclosed
EP-0018164-A1 Production of tetrahydrofuran DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP disclosed
EP-0018161-A1 Aldehyde-ethers and process for their production DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP disclosed
EP-0018161-A1 Aldehyde-ethers and process for their production DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP disclosed
EP-0018163-A1 Production of butane-1,4-diol DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP disclosed
EP-0018162-A1 Production of butyrolactone DAVY McKEE (LONDON) LIMITED (GB) 1980-10-29 EP 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-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS IKZF3, ZRANB2, ZFR HIF1A 2494/4885TSHR 3832/4885MAPT 1589/4885
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS ZFR, ZRANB2, IKZF3 HIF1A 3821/4885TSHR 3366/4885MAPT 2504/4885

“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.