SCHEMBL10323482

SCHEMBL10323482

CC1(C)c2ccc(C(F)(F)F)cc2-c2c1cc(O)c1ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
P2RY14 Q15391 1/20 0.35
TOP2A P11388 1/20 0.33
KIF11 P52732 5/20 0.33
TDP2 O95551 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PTGS2 P35354 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP2K4 P45985 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPKAPK3 Q16644 1/20 0.31
MAPK6 Q16659 1/20 0.31
IL1B P01584 2/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL8772465 0.84 AKR1C3 (0.37) SLC6A2P2RY14TOP2AKIF11MEN1
SCHEMBL6113613 0.84 PTGS2 (0.33) PTGS2
SCHEMBL16713281 0.84 SLC6A2 (0.44) SLC6A2P2RY14PTGS2MAPK1MAP2K4
SCHEMBL1963833 0.83 ALDH1A1 (0.34) SLC6A2P2RY14TDP2KMT2AIL1B
SCHEMBL30104207 0.83 ALDH1A1 (0.34) SLC6A2P2RY14TDP2KMT2AIL1B
SCHEMBL6113895 0.81 PDK2 (0.43) KIF11
SCHEMBL9934917 0.80 PDK2 (0.35) SLC6A2P2RY14TOP2AKIF11PTGS2
SCHEMBL20779077 0.78 PARP1 (0.40) KIF11TDP2MAPK1
SCHEMBL1815597 0.78 KCNH2 (0.36) MEN1KMT2ACYP2C9ALOX5APFEN1
SCHEMBL16742523 0.76 PDK2 (0.41) SLC6A2P2RY14KIF11

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 3 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
US-20120183810-A1 PHOTOCHROMIC COMPOUNDS, COMPOSITIONS AND ARTICLES TRANSITIONS OPTICAL, INC. (US) 2012-07-19 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 (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 SLC6A2 1939/4885P2RY14 639/4885TOP2A 186/4885

“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.