SCHEMBL1389587

SCHEMBL1389587

CCCC(CC(C)CC)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.62
AKR1A1 P14550 1/20 0.62
CHRM3 P20309 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SLC1A2 P43004 5/20 0.59
SLC1A1 P43005 5/20 0.59
SLC1A3 P43003 4/20 0.59
GRIK1 P39086 4/20 0.59
GRIK2 Q13002 4/20 0.59
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 2/20 0.43

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
SCHEMBL8939043 0.89 CHRM1 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8162634 0.88 CA2 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12611015 0.86 CHRM1 (0.83) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12833578 0.85 SLC1A2 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL20918368 0.84 GRIK1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22092406 0.84 GRIK1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8157872 0.84 GRIK1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1716335 0.84 SLC1A3 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8314295 0.84 SLC1A3 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14672361 0.83 FOLH1 (0.52)

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 59 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
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
US-8372994-B2 C10 alkanoic acid glycidyl esters and use thereof BASF SE (DE) 2013-02-12 US claimed
US-20120253059-A1 Hydroformylation Of Butenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-10-04 US claimed
EP-2170855-B1 C10 ALKANOIC ACID GLYCIDYL ESTERS AND USE THEREOF BASF SE (DE) 2012-08-08 EP claimed
US-8178730-B2 Processes related to the hydroformylation of butenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-15 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-20100180802-A1 C10 ALKANOIC ACID GLYCIDYL ESTERS AND USE THEREOF BASF SE (DE) 2010-07-22 US claimed
EP-2170855-A1 C10 ALKANOIC ACID GLYCIDYL ESTERS AND USE THEREOF BASF SE (DE) 2010-04-07 EP claimed
WO-2009000839-A1 C10 ALKANOIC ACID GLYCIDYL ESTERS AND USE THEREOF BASF SE (DE) 2008-12-31 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-115916736-B Preparation of saturated aliphatic C6-12Process for carboxylic acids 巴斯夫欧洲公司 2026-05-19 CN disclosed
EP-4276088-B1 USE OF A CONTAINER FOR THE STORAGE OF A SATURATED ALIPHATIC C6-C12 CARBOXYLIC ACID BASF SE (DE) 2026-05-13 EP 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 (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-20100180802-A1 C10 ALKANOIC ACID GLYCIDYL ESTERS AND USE THEREOF ALKBH3, ALK, ALKBH1 CHRM1 3027/4885AKR1A1 537/4885CHRM3 1447/4885
US-20120253059-A1 Hydroformylation Of Butenes HMOX2, BBOX1, HMOX1 CHRM1 2440/4885AKR1A1 280/4885CHRM3 2624/4885
US-20120010426-A1 Processes Related to the Hydroformylation of Butenes GRHPR, BLVRB, DHPS CHRM1 4444/4885AKR1A1 152/4885CHRM3 4482/4885
US-20070112220-A1 Hydroformylation of butenes comprising isobutylene HMOX2, BBOX1, HMOX1 CHRM1 2592/4885AKR1A1 603/4885CHRM3 2594/4885
US-20110137071-A1 Processes Related To The Hydroformylation Of Butenes GRHPR, BLVRB, DHPS CHRM1 4444/4885AKR1A1 152/4885CHRM3 4482/4885

“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.