SCHEMBL668869

SCHEMBL668869

CCCCCCOc1cc(C(=O)OCC)c(OCCCCCC)c(CC)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.41
S1PR3 Q99500 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G2A P14555 1/20 0.40
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL8106646 0.92 CYSLTR2 (0.35) S1PR3ALDH1A1TSHRLMNAHPGD
SCHEMBL8102311 0.92 CYSLTR2 (0.35) S1PR3ALDH1A1TSHRLMNAHPGD
SCHEMBL8106327 0.91 PTPN11 (0.37) PTPN11S1PR3ALDH1A1TSHRPLA2G2A
SCHEMBL8100384 0.91 PTPN11 (0.37) PTPN11S1PR3ALDH1A1TSHRPLA2G2A
SCHEMBL5843785 0.79 EGFR (0.36) ALDH1A1TSHRLMNAHPGD
SCHEMBL668867 0.79 TSHR (0.54) ALDH1A1TSHRLMNA
SCHEMBL668868 0.77 PLA2G2A (0.50) TSHRPLA2G2ATHRATHRB
SCHEMBL17186598 0.77 PRSS1 (0.33) ALDH1A1TSHRHPGDPTPN1
SCHEMBL17186567 0.77 PRSS1 (0.35) ALDH1A1TSHRHPGD
SCHEMBL17186649 0.77 ALDH1A1 (0.34) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9106057-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-08-11 US disclosed
US-9077155-B2 White-emitting monomolecular compound using excited-state intramolecular proton transfer, organic electroluminescent element and laser device using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2015-07-07 US disclosed
US-20140018543-A1 WHITE-EMITTING MONOMOLECULAR COMPOUND USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER DEVICE USING THE SAME SNU R&DB FOUNDATION (KR) 2014-01-16 US disclosed
US-8569510-B2 White-emitting compounds using excited-state intramolecular proton transfer, organic electroluminescent element and laser material using the same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-10-29 US disclosed
US-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME SNU R&DB FOUNDATION (KR) 2012-02-23 US disclosed
US-7105633-B2 Soluble poly(aryl-oxadiazole) conjugated polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-09-12 US disclosed
US-20050156516-A1 Soluble poly(aryl-oxadiazole) conjugated polymers WANG HAILIANG (US) 2005-07-21 US disclosed
US-6864352-B2 Soluble poly(aryl-oxadiazole) conjugated polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-08 US disclosed
EP-1274760-B1 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DUPONT DISPLAYS INC (US) 2004-03-24 EP disclosed
US-20030023029-A1 Soluble poly(aryl-oxadiazole) conjugated polymers DUPONT DISPLAYS, INC. 2003-01-30 US disclosed
EP-1274760-A2 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DuPont Displays, Inc. (US) 2003-01-15 EP disclosed
WO-2001077203-A2 SOLUBLE POLY(ARYL-OXADIAZOLE) CONJUGATED POLYMERS DUPONT DISPLAYS, INC. (US) 2001-10-18 WO 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-20120046472-A1 WHITE-EMITTING COMPOUNDS USING EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER, ORGANIC ELECTROLUMINESCENT ELEMENT AND LASER MATERIAL USING THE SAME ICMT, INCENP, TRMT1 PTPN11 4501/4885S1PR3 3564/4885ALDH1A1 2369/4885

“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.