SCHEMBL2850156

SCHEMBL2850156

CCCCC(CC)COc1ccc(C(=O)C(=O)c2ccc(OCC(CC)CCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 4/20 0.52
LMNA P02545 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 3/20 0.52
HSD17B10 Q99714 1/20 0.52
CA2 P00918 1/20 0.51
TDP1 Q9NUW8 2/20 0.48
PLA2G4B P0C869 2/20 0.48
ATM Q13315 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5471637 0.90 PLA2G4B (0.60) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2601871 0.90 LMNA (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5472176 0.88 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4653601 0.88 PARP10 (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL3842241 0.88 PLA2G4B (0.55) TSHRLMNAPLA2G4BPRSS1PRSS2
SCHEMBL1357035 0.87 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5469285 0.87 ALDH1A1 (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15496881 0.87 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL1356320 0.87 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15496855 0.86 ALDH1A1 (0.48) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022059867-A1 QUINOXALINE-BASED CONJUGATED POLYMER, CONTAINING CYANO GROUP, FOR POLYMER SOLAR CELL DONOR, AND POLYMER SOLAR CELL COMPRISING SAME 부경대학교 산학협력단 2022-03-24 WO disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 US disclosed
EP-1753747-B1 5,6-DIPHENYL-1,2,4-TRIAZINIC DIMERIC DERIVATIVES AND THE USE THEREOF IN THE FORM OF SUN-PROTECTIVE AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2010-01-13 EP disclosed
EP-1753747-B1 5,6-DIPHENYL-1,2,4-TRIAZINIC DIMERIC DERIVATIVES AND THE USE THEREOF IN THE FORM OF SUN-PROTECTIVE AGENTS FABRE PIERRE DERMO COSMETIQUE (FR) 2010-01-13 EP disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 US disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 US disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 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-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair TYR, H1-0, TELO2 ALDH1A1 785/4885TSHR 361/4885LMNA 955/4885

“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.