SCHEMBL1531975

SCHEMBL1531975

O=C(OCCCO)c1ccc(OCCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
ESR1 P03372 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PDE4D Q08499 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.50
STS P08842 2/20 0.50
SCN1A P35498 1/20 0.50

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
SCHEMBL18682242 0.95 TDP1 (0.56) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18682248 0.93 GAA (0.56) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18682246 0.93 GAA (0.56) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18682479 0.91 GAA (0.54) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL726435 0.90 TDP1 (0.63) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18682243 0.90 GAA (0.53) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18643864 0.89 TSHR (0.64) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL18682478 0.88 GAA (0.54) ALDH1A1MAPTLMNATSHRTDP1
SCHEMBL18682262 0.87 TSHR (0.62) ALDH1A1MAPTLMNACYP1A2TSHR
SCHEMBL9614780 0.87 GAA (0.61) ALDH1A1MAPTLMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 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
EP-2303987-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-04-06 EP disclosed
US-7910019-B2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2011-03-22 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
WO-2009158483-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 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 (2 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-20090326186-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG ALDH1A1 617/4885MAPT 2243/4885LMNA 1261/4885
US-20090323011-A1 MESOGEN CONTAINING COMPOUNDS MYOC, BMP2, RARG ALDH1A1 617/4885MAPT 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.