SCHEMBL1531817

SCHEMBL1531817

CCCCCC1CCC(c2ccc(-c3cc(OC4CCCCO4)ccc3C(=O)O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.37
PTPN11 Q06124 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.35
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
HPSE Q9Y251 2/20 0.35
P2RY14 Q15391 1/20 0.34
DGAT1 O75907 1/20 0.34
ACP1 P24666 1/20 0.34
S1PR5 Q9H228 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1531814 1.00 S1PR1 (0.37) S1PR1PTPN11MEN1KMT2ACYP2C9
SCHEMBL9189121 0.84 PTPN11 (0.53) PTPN11P2RY14
SCHEMBL11219166 0.83 BRS3 (0.43) PTPN11MEN1KMT2A
SCHEMBL28709974 0.82 PTPN11 (0.51) PTPN11P2RY14
SCHEMBL28860337 0.82 SMN1; SMN2 (0.41) PTPN11CYP2C9P2RY14DGAT1ALDH1A1
SCHEMBL1531901 0.79 CYP2C9 (0.42) MEN1KMT2ACYP2C9ALDH1A1LMNA
SCHEMBL1531903 0.79 CYP2C9 (0.42) MEN1KMT2ACYP2C9ALDH1A1LMNA
SCHEMBL7745539 0.77 PTPN11 (0.48) PTPN11PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28390205 0.76 PTPN11 (0.47) PTPN11CYP2C9P2RY14ALDH1A1LMNA
SCHEMBL11047851 0.74 CYP2C9 (0.46) PTPN11MEN1KMT2ACYP2C9P2RY14

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698411-B9 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2017-12-06 EP disclosed
EP-2698411-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2017-02-01 EP disclosed
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 EP disclosed
EP-2698412-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-10-12 EP disclosed
EP-2358845-B1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL INC (US) 2014-11-12 EP disclosed
EP-2303987-B9 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2014-09-10 EP disclosed
US-8828507-B2 Alignment facilities for optical dyes TRANSITIONS OPTICAL, INC. (US) 2014-09-09 US disclosed
EP-2303987-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2014-03-26 EP disclosed
EP-2698412-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2698411-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
US-7910019-B2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-7910020-B2 Liquid crystal compositions comprising mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
WO-2010065406-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2010-06-10 WO disclosed
US-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2010-01-21 US disclosed
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US disclosed
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-31 US disclosed
US-20090323012-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPITCAL, INC. (US) 2009-12-31 US disclosed
WO-2009158483-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 WO disclosed
WO-2009158488-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 WO disclosed
US-20090146104-A1 ALIGNMENT FACILITIES FOR OPTICAL DYES TRANSITIONS OPTICAL, INC. (US) 2009-06-11 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 (3 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-20100014010-A1 FORMULATIONS COMPRISING MESOGEN CONTAINING COMPOUNDS MYOC, RARG, MTX2 S1PR1 3698/4885PTPN11 2886/4885MEN1 84/4885
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG S1PR1 4018/4885PTPN11 3827/4885MEN1 117/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG S1PR1 4018/4885PTPN11 3827/4885MEN1 117/4885

“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.