SCHEMBL4453742

SCHEMBL4453742

CCCCCCCCCCCC[C](C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
PTGS2 P35354 3/20 0.50
NAAA Q02083 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL1581395 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL2761831 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL11494540 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL18045476 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL19642160 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL5968483 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL815938 1.00 CES2 (0.59) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL816636 0.98 CES2 (0.58) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL820442 0.91 PTGS2 (0.59) CES2CES1PTGS2NAAA
SCHEMBL3281895 0.84 L3MBTL1 (0.44) CES2CES1PTGS2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55007218-A None JP disclosed
CN-118241039-A Extractant for extracting lithium from alkaline lithium-containing solution, and preparation method and application thereof 中国科学院过程工程研究所 2024-06-25 CN disclosed
WO-2009076722-A1 METHOD OF PROTECTING A SURFACE FROM BIOLOGICAL FOULING THE UNIVERSITY OF MELBOURNE (AU) 2009-06-25 WO disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US disclosed
EP-0495777-A4 STRUCTURAL AGGREGATE PIGMENTS 1992-09-30 EP disclosed
EP-0495777-A1 STRUCTURAL AGGREGATE PIGMENTS INDUSTRIAL PROGRESS, INC. (US) 1992-07-29 EP disclosed
WO-1991005604-A1 STRUCTURAL AGGREGATE PIGMENTS INDUSTRIAL PROGRESS, INC. (US) 1991-05-02 WO disclosed
CN-1050889-A STRUCTURAL AGGREGATE PIGMENTS IND PROGRESS INC (US) 1991-04-24 CN disclosed
CN-1050888-A STRUCTURAL AGGREGATE PIGMENTS IND PROGRESS INC (US) 1991-04-24 CN disclosed
JP-S557218-A STABLE QUATERNARY AMMONIUM SALT COMPOSITION KAO CORP 1980-01-19 JP disclosed
US-3981937-A BY REACTION WITH ALKALI METAL HYDROXIDES OR ALKALINE EARTH METAL HYDROXIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-21 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 (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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 CES2 56/4885CES1 82/4885PTGS2 2383/4885

“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.