SCHEMBL21539

SCHEMBL21539

CCCCCC(C(C)C)(C(C)C)C(O[Ti](=O)O)(C(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.31
FDPS P14324 10/20 0.31
GGPS1 O95749 7/20 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
SCHEMBL8469558 0.72 GGPS1 (0.33) SMPD1FDPSGGPS1
SCHEMBL11213046 0.71 GGPS1 (0.41) SMPD1FDPSGGPS1
SCHEMBL10794238 0.67 SMPD1 (0.41) SMPD1FDPSGGPS1
SCHEMBL918183 0.67 SMPD1 (0.41) SMPD1FDPSGGPS1
SCHEMBL3685062 0.66 FDPS (0.31) FDPS
SCHEMBL11503181 0.66 SMPD1 (0.34) SMPD1FDPS
SCHEMBL5861642 0.66 LMNA (0.46) SMPD1FDPSGGPS1
SCHEMBL142411 0.65 FDPS (0.33) FDPS
SCHEMBL3820203 0.63 CES2 (0.39)
SCHEMBL10799271 0.62 LMNA (0.41) SMPD1FDPSGGPS1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609068-B1 PROCESSES FOR THE PRODUCTION OF ESTERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-03-18 EP disclosed
US-9725401-B2 Processes for the production of esters EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-08-08 US disclosed
US-20140343204-A1 Esters, Hydrogenated Derivatives Thereof, and Processes for Producing the Same EXXONMOBIL CHEMICAL PATENTS INC. 2014-11-20 US disclosed
US-20140148612-A1 Processes for the Production of Esters EXXONMOBIL CHEMICAL PATENTS INC. 2014-05-29 US disclosed
EP-2609068-A1 PROCESSES FOR THE PRODUCTION OF ESTERS ExxonMobil Chemical Patents Inc. (US) 2013-07-03 EP disclosed
WO-2013025277-A1 ESTERS AND THEIR PREPARATION AND USE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-02-21 WO disclosed
US-8344174-B2 Batch esterification EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-01-01 US disclosed
WO-2012025308-A1 PROCESSES FOR THE PRODUCTION OF ESTERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-01 WO disclosed
US-20110313090-A1 Method For The Manufacture Of Long Chain Phthalate Dialkyl Ester Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-22 US disclosed
EP-2352716-A1 IMPROVED METHOD FOR THE MANUFACTURE OF LONG CHAIN PHTHALATE DIALKYL ESTER COMPOSITIONS ExxonMobil Chemical Patents Inc. (US) 2011-08-10 EP disclosed
EP-2121560-B1 BATCH ESTERIFICATION EXXONMOBIL CHEM PATENTS INC (US) 2011-07-20 EP disclosed
US-20100137631-A1 BATCH ESTERIFICATION EXXONMOBIL CHEMICAL PATENTS INC. 2010-06-03 US disclosed
WO-2010057847-A1 IMPROVED METHOD FOR THE MANUFACTURE OF LONG CHAIN PHTHALATE DIALKYL ESTER COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-27 WO disclosed
EP-2121560-A1 BATCH ESTERIFICATION ExxonMobil Chemical Patents Inc. (US) 2009-11-25 EP disclosed
WO-2008110306-A1 BATCH ESTERIFICATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-18 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 (1 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-20140343204-A1 Esters, Hydrogenated Derivatives Thereof, and Processes for Producing the Same ADH5, HDHD5, ADH1A SMPD1 2575/4885FDPS 85/4885GGPS1 254/4885

“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.