SCHEMBL6142597

SCHEMBL6142597

O=C(c1ccccc1)C(O)(SS)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.46
SRC P12931 1/20 0.42
CA2 P00918 3/20 0.40
CA4 P22748 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CES2 O00748 2/20 0.38
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL6427462 0.81 CES1 (0.50) CES1SRCCA2CA4CA12
SCHEMBL7074813 0.79 CES1 (0.44) CES1SRCCA2CA4CA12
SCHEMBL28981224 0.78 CES1 (0.47) CES1SRCCA2CA4CA12
SCHEMBL4348603 0.74 CES1 (0.50) CES1SRCCA2CA4CA12
SCHEMBL15284796 0.73 CES1 (0.44) CES1SRCCES2TSHRALDH1A1
SCHEMBL242506 0.73 CES1 (0.54) CES1SRCCA2CA4CA12
SCHEMBL562162 0.73 CES1 (0.54) CES1SRCCA2CA4CA12
SCHEMBL1079930 0.73 CES1 (0.54) CES1SRCCA2CA4CA12
SCHEMBL252920 0.73 CES1 (0.54) CES1SRCCA2CA4CA12
SCHEMBL1127623 0.71 CES1 (0.57) CES1SRCCA2CA4CA12

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7101756-A None JP disclosed
EP-1492746-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS ExxonMobil Research and Engineering Company (US) 2005-01-05 EP disclosed
US-6777584-B2 USING ORGANOMETALLIC CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-08-17 US disclosed
US-6743960-B2 CONTACTING AN OLEFINIC MONOMERS FEED WITH A CATALYST CONTAINING A BIS/DITHIOALKYL OR ARYL/METAL(A LATE TRANSITION METAL) OR DERIVATIVES AND AN ACTIVATING CATALYST, OLIGOMERIZING THE MONOMER TO FORM AN OLIGOMER PRODUCT EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-06-01 US disclosed
US-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EXXONMOBIL RESEARCH & ENGINEERING COMPANY 2003-09-04 US disclosed
WO-2003072529-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-09-04 WO disclosed
US-20030105374-A1 Method for oligomerizing olefins to form higher olefins using sulfur-containing and sulfur-tolerant catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2003-06-05 US disclosed
JP-H07101756-A TRANSPARENT LAMINATED BODY SEKISUI CHEM CO LTD 1995-04-18 JP disclosed
US-4892670-A ANTIWEAR LUBRICATING OIL CONTAINING A COPPER CARBOXYLATE AND A BORON HETEROCYCLIC COMPOUND UNION OIL COMPANY OF CALIFORNIA (US) 1990-01-09 US disclosed
EP-0314843-A1 Additives for lubricating oils, and lubricating oils containing such additives UNION OIL COMPANY OF CALIFORNIA (US) 1989-05-10 EP disclosed
US-4629580-A REACTING AMINE, AROMATIC OXIDE AND BORIC ACID UNION OIL COMPANY OF CALIFORNIA (US) 1986-12-16 US disclosed
US-4627930-A Boron-containing heterocyclic compounds and lubricating oil containing same UNION OIL COMPANY OF CALIFORNIA (US) 1986-12-09 US disclosed
US-4595514-A Nitrogen, oxygen, boron heterocyclic compounds UNION OIL COMPANY OF CALIFORNIA (US) 1986-06-17 US disclosed
US-4557843-A FOR CORROSION, OXIDATION AND WEAR RESISTANCE UNION OIL COMPANY OF CALIFORNIA (US) 1985-12-10 US disclosed
EP-0120036-A4 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME. UNION OIL CO (US) 1985-10-14 EP disclosed
US-4533480-A EXTREME PRESSURE, ANTI-WEAR AND FRICTION REDUCING LUBRICANT UNION OIL COMPANY OF CALIFORNIA (US) 1985-08-06 US disclosed
US-4490265-A BORON-CONTAINING HETEROCYCLIC ADDITIVES, POLYSULFIDE DERIVATIVES OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES AND BISDITHIOBENZIL METAL COMPONENTS UNION OIL COMPANY OF CALIFORNIA (US) 1984-12-25 US disclosed
EP-0120036-A1 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME UNION OIL COMPANY OF CALIFORNIA (US) 1984-10-03 EP disclosed
WO-1984001169-A1 BORON-CONTAINING HETEROCYCLIC COMPOUNDS AND LUBRICATING OILS CONTAINING SAME UNION OIL CO (US) 1984-03-29 WO disclosed
US-4427560-A BIS/DITHIOBEZIL/ METAL DERIVATIVE AND A POLYSULFIDE DERIVATIVE OF 2,5-DIMERCAPTO-1,3,4-THIADIAZOLE UNION OIL COMPANY OF CALIFORNIA (US) 1984-01-24 US 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 (2 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-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EEF1D, CYP4Z1, ECH1 CES1 789/4885SRC 2674/4885CA2 4479/4885
US-20030105374-A1 Method for oligomerizing olefins to form higher olefins using sulfur-containing and sulfur-tolerant catalysts MSRB3, CBR3, CBR1 CES1 2905/4885SRC 1387/4885CA2 3308/4885

“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.