SCHEMBL2827604

SCHEMBL2827604

CCCCCc1ccc(C2(C(=O)O)CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
RARB P10826 5/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.38
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9486386 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL9488384 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL2829785 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL9485865 0.92 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL9486977 0.92 KMT2A (0.40) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL9487875 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL9486946 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL9487772 0.90 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL4827223 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL8677395 0.84 MEN1 (0.48) MEN1KMT2AALDH1A1S1PR1S1PR3

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
US-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 US disclosed
EP-1896552-B1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON CHEMIE AG (LI) 2010-05-19 EP disclosed
EP-1896552-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES Tetragon-Chemie AG (LI) 2008-03-12 EP disclosed
WO-2006136345-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2006-12-28 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I MEN1 248/4885KMT2A 2018/4885ALDH1A1 265/4885

“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.