SCHEMBL4682822

SCHEMBL4682822

CCCCCCCCOC(=O)C1CC(=O)C(C(=O)OCCCCCCCC)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NAAA Q02083 3/20 0.47
CHRM2 P08172 6/20 0.46
CHRM4 P08173 6/20 0.46
CHRM5 P08912 6/20 0.46
CHRM1 P11229 6/20 0.46
CHRM3 P20309 6/20 0.46
PPARG P37231 3/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4683075 1.00 TSHR (0.47) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL7823966 0.93 ALDH1A1 (0.45) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8813353 0.87 CHRM2 (0.43) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL5897037 0.81 TSHR (0.42) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL14569654 0.81 TSHR (0.42) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL7823958 0.80 KDM4E (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5897036 0.80 TSHR (0.41) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL6040990 0.80 CHRM2 (0.44) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL14569653 0.80 TSHR (0.41) TSHRNAAACHRM2CHRM4CHRM5
SCHEMBL4682813 0.79 NAAA (0.47) TSHRNAAAPPARGEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110615743-A Lyotropic color-changing fluorescent compound and preparation method and application thereof 天津科技大学 2019-12-27 CN disclosed
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
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
CN-1114431-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS (JP) 1996-01-03 CN disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP 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 TSHR 3346/4885NAAA 3133/4885CHRM2 4770/4885

“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.