SCHEMBL322618

SCHEMBL322618

NCCCCCCCNCCCCCCCNCCCCCCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.87
CA6 P23280 6/20 0.87
CA7 P43166 6/20 0.87
CA9 Q16790 6/20 0.87
CA14 Q9ULX7 6/20 0.87
CA5B Q9Y2D0 6/20 0.87
CA2 P00918 5/20 0.87
CA4 P22748 5/20 0.87
CA5A P35218 5/20 0.87
CA3 P07451 4/20 0.87
CA1 P00915 3/20 0.87
F13A1 P00488 2/20 0.87
CYP1A2 P05177 2/20 0.87
ALOX15 P16050 2/20 0.87
THPO P40225 2/20 0.87
TSHR P16473 2/20 0.87
CYP2C9 P11712 1/20 0.87
PKM P14618 1/20 0.87
MTOR P42345 1/20 0.87
LMNA P02545 2/20 0.81

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
SCHEMBL323018 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL9182483 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL16295924 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL322922 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL20261145 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL16281062 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL5078139 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL12983201 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL7096452 1.00 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL21388272 1.00 CA12 (0.87) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694628-B1 FUEL CONTAINING COLD FLOW ADDITIVES ELEVANCE RENEWABLE SCIENCES (US) 2017-08-09 EP claimed
US-9012385-B2 Terpene derived compounds ELEVANCE RENEWABLE SCIENCES, INC. (US) 2015-04-21 US claimed
EP-2590911-B1 WAXES DERIVED FROM METATHESIZED NATURAL OILS AND AMINES AND METHODS OF MAKING ELEVANCE RENEWABLE SCIENCES (US) 2014-05-14 EP claimed
EP-2694628-A1 COLD FLOW ADDITIVES FOR FUELS Elevance Renewable Sciences, Inc. (US) 2014-02-12 EP claimed
EP-2688988-A2 FUNCTIONALIZED MONOMERS Elevance Renewable Sciences, Inc. (US) 2014-01-29 EP claimed
EP-2688990-A2 MALIENATED DERIVATIVES Elevance Renewable Sciences, Inc. (US) 2014-01-29 EP claimed
EP-2688925-A2 FUNCTIONALIZED POLYMERS Elevance Renewable Sciences, Inc. (US) 2014-01-29 EP claimed
EP-2688989-A1 FUNCTIONALIZED MONOMERS Elevance Renewable Sciences, Inc. (US) 2014-01-29 EP claimed
WO-2013130372-A1 TERPENE DERIVED COMPOUNDS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2013-09-06 WO claimed
US-20130225462-A1 TERPENE DERIVED COMPOUNDS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2013-08-29 US claimed
US-20120264664-A1 MALIENATED DERIVATIVES WILMAR TRADING PTE LTD (SG) 2012-10-18 US claimed
WO-2012138513-A1 COLD FLOW ADDITIVES FOR FUELS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2012-10-11 WO claimed
US-20120255222-A1 COLD FLOW ADDITIVES WILMAR TRADING PTE LTD (SG) 2012-10-11 US claimed
WO-2012128788-A1 FUNCTIONALIZED MONOMERS AND POLYMERS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2012-09-27 WO claimed
WO-2012129479-A2 MALIENATED DERIVATIVES ELEVANCE RENEWABLE SCIENCES (US) 2012-09-27 WO claimed
WO-2012129477-A1 FUNCTIONALIZED MONOMERS ELEVANCE RENEWABLE SCIENCES (US) 2012-09-27 WO claimed
WO-2012129482-A2 FUNCTIONALIZED MONOMERS ELEVANCE RENEWABLE SCIENCES (US) 2012-09-27 WO claimed
WO-2012129490-A2 FUNCTIONALIZED POLYMERS ELEVANCE RENEWABLE SCIENCES (US) 2012-09-27 WO claimed
US-20120245063-A1 FUNCTIONALIZED MONOMERS AND POLYMERS WILMAR TRADING PTE LTD (SG) 2012-09-27 US claimed
WO-2012006324-A1 WAXES DERIVED FROM METATHESIZED NATURAL OILS AND AMINES AND METHODS OF MAKING ELEVANCE RENEWABLE SCIENCES, INC. (US) 2012-01-12 WO claimed

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-20120245063-A1 FUNCTIONALIZED MONOMERS AND POLYMERS PUF60, FGB, MSN CA12 3243/4885CA6 3973/4885CA7 3799/4885
US-20130225462-A1 TERPENE DERIVED COMPOUNDS FDFT1, SQLE, FDPS CA12 3037/4885CA6 4231/4885CA7 3666/4885

“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.