SCHEMBL1389490

SCHEMBL1389490

CCCC(C=O)CC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.31
CTSK P43235 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
SCHEMBL16755361 0.83 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL1491996 0.83 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1
SCHEMBL19812651 0.83 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL21143021 0.82 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL9770253 0.81 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1CTSK
SCHEMBL28176167 0.79 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1
SCHEMBL269385 0.78
SCHEMBL13042431 0.77 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1CTSK
SCHEMBL12654610 0.77 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1
SCHEMBL28850577 0.77 TSHR (0.37) TSHRSMN1; SMN2

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 56 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-8519084-B2 Use of a C11 diol or C11 diol mixture for producing polymers BASF SE (DE) 2013-08-27 US claimed
US-20120253059-A1 Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-10-04 US claimed
EP-2291432-B1 USE OF A C11 DIOL OR C11 DIOL MIXTURE FOR PRODUCING POLYMERS BASF SE (DE) 2012-08-15 EP claimed
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-01-12 US claimed
JP-2011524451-A 2011-09-01 JP claimed
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-09 US claimed
US-20110130514-A1 USE OF A C11 DIOL OR C11 DIOL MIXTURE FOR PRODUCING POLYMERS BASF SE (DE) 2011-06-02 US claimed
EP-2291432-A1 USE OF A C11 DIOL OR C11 DIOL MIXTURE FOR PRODUCING POLYMERS BASF SE (DE) 2011-03-09 EP claimed
WO-2009153193-A1 USE OF A C11 DIOL OR C11 DIOL MIXTURE FOR PRODUCING POLYMERS BASF SE (DE) 2009-12-23 WO 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
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-2190805-B1 PROCESS AND DEVICE FOR THE OXIDATION OF ALDEHYDES BASF SE (DE) 2016-02-17 EP disclosed
EP-0094456-A1 Preparation of alcohols from olefins having from 3 to 7 carbon atoms MONSANTO COMPANY (US) 1983-11-23 EP 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 (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-20120253059-A1 Hydroformylation Of Butenes HMOX2, BBOX1, HMOX1 TSHR 4874/4885SMN1; SMN2 581/4885ALDH1A1 53/4885
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes GRHPR, BLVRB, DHPS TSHR 4871/4885SMN1; SMN2 1554/4885ALDH1A1 37/4885
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene HMOX2, BBOX1, HMOX1 TSHR 4884/4885SMN1; SMN2 643/4885ALDH1A1 81/4885
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes GRHPR, BLVRB, DHPS TSHR 4871/4885SMN1; SMN2 1554/4885ALDH1A1 37/4885
US-20110130514-A1 USE OF A C11 DIOL OR C11 DIOL MIXTURE FOR PRODUCING POLYMERS HSD11B1, CCL11, DECR2 TSHR 4791/4885SMN1; SMN2 2984/4885ALDH1A1 270/4885

“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.