SCHEMBL3957979

SCHEMBL3957979

CCCCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(N6CCOCC6)c(OC)cc5c3O2)-c2ccc(C(F)(F)F)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
GAA P10253 1/20 0.30
MC4R P32245 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL3956773 0.94 TNIK (0.35) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL3961406 0.94 LMNA (0.37) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL25605288 0.92 LMNA (0.36) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL25717550 0.92 TNIK (0.33) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL25605285 0.91 LMNA (0.35) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL25606583 0.90 TNIK (0.33) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL3953598 0.90 ALK (0.34) LMNAALDH1A1NOD1
SCHEMBL18102197 0.90 TNIK (0.34) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL25716497 0.89 TNIK (0.37) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL3962299 0.88 RAF1 (0.35) TNIKSMN1; SMN2L3MBTL1LMNAALDH1A1

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
EP-2078006-B1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL INC (US) 2018-11-07 EP claimed
US-8748634-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2014-06-10 US claimed
EP-2078006-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2009-07-15 EP claimed
WO-2008054942-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-08 WO claimed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 US claimed
EP-2078006-B1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL INC (US) 2018-11-07 EP disclosed
US-9006427-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2015-04-14 US disclosed
US-8748634-B2 Photochromic materials demonstrating improved fade rates TRANSITIONS OPTICAL, INC. (US) 2014-06-10 US disclosed
US-20140155598-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2014-06-05 US disclosed
EP-2078006-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2009-07-15 EP disclosed
WO-2008054942-A2 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-08 WO disclosed
US-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES TRANSITIONS OPTICAL, INC. (US) 2008-05-01 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-20080103301-A1 PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES PNPO, FLAD1, CRY2 TNIK 1656/4885SMN1; SMN2 1782/4885L3MBTL1 3096/4885

“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.