SCHEMBL4683072

SCHEMBL4683072

CCCCCCCCCCCCOC(=O)C1C(=O)CCC(=O)C1C(=O)OCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.47
PPARG P37231 3/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PRKCA P17252 4/20 0.43

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
SCHEMBL4682813 1.00 NAAA (0.47) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL8810368 0.93 ALDH1A1 (0.45) NAAAPPARGTSHRALDH1A1LMNA
SCHEMBL8813347 0.87 DNTT (0.41) NAAATSHRALDH1A1LMNAPRKCA
SCHEMBL4683075 0.79 TSHR (0.47) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL4682822 0.79 TSHR (0.47) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL5897037 0.78 TSHR (0.42) NAAAPPARGTSHRALDH1A1
SCHEMBL14569654 0.78 TSHR (0.42) NAAAPPARGTSHRALDH1A1
SCHEMBL16104472 0.77 PPARG (0.46) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL11835270 0.77 PPARG (0.46) NAAAPPARGEPHX1TSHRALDH1A1
SCHEMBL5897036 0.76 TSHR (0.41) NAAAPPARGTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928873-A1 DIHYDROQUINOPHENANTHRINE DIONE AND TETRAHYDROQUINOPHENANTHRINE DIONE FLUORESCENT WHITENING AGENTS Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
US-7294287-B2 Quinophenanthrine diones fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-11-13 US disclosed
WO-2007028734-A1 DIHYDROQUINOPHENANTHRINE DIONE AND TETRAHYDROQUINOPHENANTHRINE DIONE FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-03-15 WO disclosed
US-20070050927-A1 As optical brighteners and light stabilizers in natural and synthetic materials and as fluorescent markers in applications such as defect detection, bio- and chemical assays and security printing CIBA SPECIALTY CHEMICALS CORP. 2007-03-08 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-20070050927-A1 As optical brighteners and light stabilizers in natural and synthetic materials and as fluorescent markers in applications such as defect detection, bio- and chemical assays and security printing DDT, DBN1, DHPS NAAA 3133/4885PPARG 931/4885EPHX1 697/4885

“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.