SCHEMBL987486

SCHEMBL987486

CCCCCCCCC(CCCCCC)COC(=O)C(Br)C(=O)OCC(CCCCCC)CCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TSHR P16473 3/20 0.50
CYP3A4 P08684 3/20 0.50
FAAH O00519 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CA2 P00918 1/20 0.44
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL29201907 0.87 ZDHHC7 (0.51) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL6414894 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL18308671 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL11658392 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL20834252 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL20767414 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL19105124 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL11654426 0.83 PRSS1 (0.50) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL2990536 0.82 PRSS1 (0.53) ZDHHC7PRSS1PRSS2PRSS3TSHR
SCHEMBL29240282 0.82 PRSS1 (0.53) ZDHHC7PRSS1PRSS2PRSS3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841454-B2 Functionalized carbon nanostructures which are soluble in hydrocarbons and method for preparation EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-23 US disclosed
US-8435931-B2 Reduced friction lubricating oils containing functionalized carbon nanomaterials EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-05-07 US disclosed
EP-2454352-A1 REDUCED FRICTION LUBRICATING OILS CONTAINING FUNCTIONALIZED CARBON NANOMATERIALS ExxonMobil Research and Engineering Company (US) 2012-05-23 EP disclosed
US-20110015423-A1 Functionalized Carbon Nanostructures Which are Soluble in Hydrocarbons and Method for Preparation EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 US disclosed
US-20110015106-A1 Reduced Friction Lubricating Oils Containing Functionalized Carbon Nanomaterials EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 US disclosed
WO-2011009025-A1 REDUCED FRICTION LUBRICATING OILS CONTAINING FUNCTIONALIZED CARBON NANOMATERIALS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 WO disclosed
WO-2011009026-A1 FUNCTIONALIZED CARBON NANOSTRUCTURES WHICH ARE SOLUBLE IN HYDROCARBONS AND METHOD FOR PREPARATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-01-20 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-20110015423-A1 Functionalized Carbon Nanostructures Which are Soluble in Hydrocarbons and Method for Preparation ALKBH3, HCCS, CCL11 ZDHHC7 1735/4885PRSS1 3407/4885PRSS2 1986/4885

“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.