SCHEMBL1389620

SCHEMBL1389620

CCC(C)CC(C=O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL270568 0.78
SCHEMBL14211014 0.78
SCHEMBL10755266 0.76 ADH1B (0.32) TSHR
SCHEMBL20191710 0.74
SCHEMBL1784931 0.74
SCHEMBL14899286 0.74
SCHEMBL14360192 0.72 AKR1B1 (0.32) TSHR
SCHEMBL16755361 0.72 TSHR (0.46) PTPN1TSHRSMN1; SMN2
SCHEMBL14231343 0.71
SCHEMBL15629139 0.71 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673332-B1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE EXXONMOBIL CHEM PATENTS INC (US) 2015-06-17 EP claimed
US-8921607-B2 Hydroformylation of butenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-30 US claimed
US-20120253059-A1 Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-10-04 US claimed
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-01-12 US claimed
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-09 US claimed
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO claimed
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene EXXONMOBIL CHEMICAL PATENTS INC. 2007-05-17 US claimed
CN-1856460-A Hydroformylation of isobutene-containing butenes EXXONMOBIL CHEM PATENTS INC (US) 2006-11-01 CN claimed
EP-1673332-A1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE ExxonMobil Chemical Patents Inc. (US) 2006-06-28 EP claimed
WO-2005028407-A1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-31 WO claimed
CN-114618491-A Preparation method of copper-based catalyst and method for preparing alkanol by catalytic hydrogenation of copper-based catalyst 北京石油化工学院 2022-06-14 CN disclosed
EP-1673332-B1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE EXXONMOBIL CHEM PATENTS INC (US) 2015-06-17 EP disclosed
US-8921607-B2 Hydroformylation of butenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-30 US disclosed
US-20120253059-A1 Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-10-04 US disclosed
US-8178730-B2 Processes related to the hydroformylation of butenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-15 US disclosed
WO-2005028407-A1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-31 WO disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
EP-0024088-A1 PROCESS FOR THE PREPARATION OF ALDEHYDES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1981-02-25 EP disclosed
WO-1980001691-A1 PROCESS FOR THE PREPARATION OF ALDEHYDES EXXON RESEARCH ENGINEERING CO (US) 1980-08-21 WO 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 (4 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-20120253059-A1 Hydroformylation Of Butenes HMOX2, BBOX1, HMOX1 PTPN1 4792/4885TSHR 4874/4885SMN1; SMN2 581/4885
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes GRHPR, BLVRB, DHPS PTPN1 4756/4885TSHR 4871/4885SMN1; SMN2 1554/4885
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene HMOX2, BBOX1, HMOX1 PTPN1 4801/4885TSHR 4884/4885SMN1; SMN2 643/4885
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes GRHPR, BLVRB, DHPS PTPN1 4756/4885TSHR 4871/4885SMN1; SMN2 1554/4885

“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.