SCHEMBL2281587

SCHEMBL2281587

[O]C(=O)OC1CCC(=O)OC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2288161 0.86 CYP2D6 (0.38) CYP2D6
SCHEMBL1897077 0.79 CYP2D6 (0.32) CYP2D6
SCHEMBL1903579 0.78 ALDH1A1 (0.37) CYP2D6ALDH1A1
SCHEMBL23080069 0.76 PTPN1 (0.31) CYP2D6
SCHEMBL10064112 0.75 PTPN1 (0.31)
SCHEMBL14902371 0.74 FKBP1A (0.34) CYP2D6ALDH1A1TP53TSHR
SCHEMBL25608540 0.74
SCHEMBL7270614 0.70 CYP2D6 (0.37) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL24996357 0.70
SCHEMBL1899821 0.70 PTPN1 (0.40) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994273-B2 Photoactive materials ROLIC AG (CH) 2011-08-09 US claimed
US-7750185-B2 Photoactive materials ROLIC AG (CH) 2010-07-06 US claimed
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked ROLIC AG (CH) 2005-12-29 US claimed
EP-1386910-A1 Photoactive materials Rolic AG (CH) 2004-02-04 EP claimed
US-8436132-B2 Photoactive materials ROLIC AG (CH) 2013-05-07 US disclosed
US-20110236602-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2011-09-29 US disclosed
US-7994273-B2 Photoactive materials ROLIC AG (CH) 2011-08-09 US disclosed
US-20100272979-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2010-10-28 US disclosed
US-7750185-B2 Photoactive materials ROLIC AG (CH) 2010-07-06 US disclosed
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked ROLIC AG (CH) 2005-12-29 US disclosed
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP disclosed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 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-20110236602-A1 PHOTOACTIVE MATERIALS AOC1, CRY1, CCNA1 CYP2D6 2278/4885ALDH1A1 129/4885LMNA 1281/4885
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked C9, F12, DAO CYP2D6 4238/4885ALDH1A1 1929/4885LMNA 581/4885

“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.