SCHEMBL9935918

SCHEMBL9935918

COC(=O)c1cc(OC(C)=O)c2ccc(C(F)(F)F)cc2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CFTR P13569 1/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CYP1A2 P05177 1/20 0.39
KIF11 P52732 1/20 0.39
RORB Q92753 3/20 0.39

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
SCHEMBL9942157 0.85 CFTR (0.49) KDM4EALDH1A1HPGDCYP2C19CFTR
SCHEMBL3961256 0.84 KDM4E (0.44) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL3958362 0.81 BACE1 (0.47) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL31435275 0.81 BACE1 (0.47) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL1963621 0.78 KDM4E (0.40) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL1009498 0.77 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27165414 0.77 CFD (0.39) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL27781533 0.75 KDM4E (0.60) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL5943417 0.75 KDM4E (0.73) BACE1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL9899201 0.75 NR4A2 (0.46) BACE1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652551-B1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL INC (US) 2015-12-30 EP disclosed
US-8859097-B2 Photochromic compounds, compositions and articles TRANSITIONS OPTICAL, INC. (US) 2014-10-14 US disclosed
EP-2652551-A1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-20120183810-A1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-07-19 US disclosed
WO-2012082236-A1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120183810-A1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES CRY2, H1-0, CRY1 BACE1 1523/4885KDM4E 3170/4885ALDH1A1 2057/4885

“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.