SCHEMBL1531901

SCHEMBL1531901

CCCCC[C@H]1CC[C@H](c2ccc(OC(=O)c3ccc(OC4CCCCO4)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1531903 1.00 CYP2C9 (0.42) CYP2C9MAPTLMNAALDH1A1MEN1
SCHEMBL1531816 0.89 MEN1 (0.36) CYP2C9MAPTLMNAALDH1A1MEN1
SCHEMBL10972575 0.84 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1MEN1
SCHEMBL10972573 0.84 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1MEN1
SCHEMBL10972576 0.84 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1MEN1
SCHEMBL9330107 0.84 KMT2A (0.57) CYP2C9MAPTLMNAMEN1KMT2A
SCHEMBL11416606 0.84 LMNA (0.56) CYP2C9MAPTLMNAALDH1A1KMT2A
SCHEMBL9189118 0.83 LMNA (0.57) CYP2C9MAPTLMNAALDH1A1KMT2A
SCHEMBL12768626 0.83 LMNA (0.57) CYP2C9MAPTLMNAALDH1A1KMT2A
SCHEMBL13572571 0.83 LMNA (0.57) CYP2C9MAPTLMNAALDH1A1KMT2A

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-2698413-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-7910020-B2 Liquid crystal compositions comprising mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 US disclosed
US-7910019-B2 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 CYP2C9 2274/4885MAPT 1861/4885LMNA 1070/4885
US-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG CYP2C9 2891/4885MAPT 2243/4885LMNA 1261/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG CYP2C9 2891/4885MAPT 2243/4885LMNA 1261/4885

“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.