SCHEMBL1389461

SCHEMBL1389461

CCCC/C=C(/CO)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
EP300 Q09472 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 2/20 0.31
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1389462 1.00 GRIK1 (0.35) GRIK1ALDH1A1TSHREP300SMN1; SMN2
SCHEMBL11973153 0.76 EP300 (0.43) TSHREP300CA1
SCHEMBL11973156 0.76 EP300 (0.43) TSHREP300CA1
SCHEMBL11972799 0.74 EP300 (0.47) TSHREP300
SCHEMBL11972801 0.74 EP300 (0.47) TSHREP300
SCHEMBL21424872 0.74 EP300 (0.34) GRIK1ALDH1A1TSHREP300
SCHEMBL12987113 0.73 GRIK1 (0.36) GRIK1ALDH1A1TSHREP300MEN1
SCHEMBL12987110 0.73 GRIK1 (0.36) GRIK1ALDH1A1TSHREP300MEN1
SCHEMBL9997707 0.70 ALDH1A1 (0.44) GRIK1ALDH1A1EP300CA1LMNA
SCHEMBL8473354 0.70

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 19 patents. 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-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
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-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
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-01-12 US disclosed
US-8049043-B2 Processes related to the hydroformylation of butenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-01 US disclosed
US-8022256-B2 Hydroformylation of butenes comprising isobutylene EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-09-20 US disclosed
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-09 US disclosed
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene EXXONMOBIL CHEMICAL PATENTS INC. 2007-05-17 US disclosed
EP-1673332-A1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE ExxonMobil Chemical Patents Inc. (US) 2006-06-28 EP disclosed
WO-2005028407-A1 HYDROFORMYLATION OF BUTENES COMPRISING ISOBUTYLENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-31 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 GRIK1 3974/4885ALDH1A1 53/4885TSHR 4874/4885
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes GRHPR, BLVRB, DHPS GRIK1 2662/4885ALDH1A1 37/4885TSHR 4871/4885
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene HMOX2, BBOX1, HMOX1 GRIK1 3844/4885ALDH1A1 81/4885TSHR 4884/4885
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes GRHPR, BLVRB, DHPS GRIK1 2662/4885ALDH1A1 37/4885TSHR 4871/4885

“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.