SCHEMBL6289872

SCHEMBL6289872

CCCCc1cc(Oc2ccc(Oc3ccc(Oc4ccccc4F)cc3)c(CCCC)c2)ccc1Oc1ccc(Oc2ccccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
SLC6A4 P31645 3/20 0.44
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 3/20 0.43
PPARG P37231 3/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CXCL8 P10145 2/20 0.41
PARP10 Q53GL7 1/20 0.41
FDFT1 P37268 2/20 0.41
LTA4H P09960 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL6289845 0.83 CYP1A2 (0.50) LTA4H
SCHEMBL6289339 0.83 LPAR1 (0.40) HTR2ASLC6A4LPAR1LPAR5PARP10
SCHEMBL11735879 0.77 LTA4H (0.45) HTR2ASLC6A4LTA4H
SCHEMBL6290666 0.75 CXCL8 (0.46) HTR2ASLC6A4LPAR1LPAR5CXCL8
SCHEMBL15177168 0.74 LPAR1 (0.51) LPAR1LPAR5PARP10
SCHEMBL6186762 0.74 HRH1 (0.62) HTR2ASLC6A4LTA4H
SCHEMBL29580562 0.74 HRH1 (0.62) HTR2ASLC6A4LTA4H
SCHEMBL10106200 0.74 FDFT1 (0.53) PPARGPPARDPPARAFDFT1LTA4H
SCHEMBL6290500 0.73 PARP10 (0.54) HTR2ASLC6A4LPAR1LPAR5PARP10
SCHEMBL10106199 0.73 FDFT1 (0.56) LPAR1LPAR5PPARGPPARAFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933411-B2 Aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2005-08-23 US disclosed
US-6737503-B2 LOW TEMPERATURE ADHESIVE BONDING MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20040082754-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2004-04-29 US disclosed
US-20030092870-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1288191-A2 Novel aromatic diamine and polyimide thereof Mitsui Chemicals, Inc. (JP) 2003-03-05 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-20030092870-A1 Novel aromatic diamine and polyimide thereof DDT, AOC1, H1-4 HTR2A 3542/4885SLC6A4 1103/4885LPAR1 3847/4885

“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.