SCHEMBL3961375

SCHEMBL3961375

COc1cc2c(O)cc(C(C)(C)O)c(-c3ccc(C(F)(F)F)cc3)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KIF11 P52732 2/20 0.38
MCHR1 Q99705 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
CXCL12 P48061 1/20 0.36
GPR35 Q9HC97 1/20 0.36
DUSP3 P51452 1/20 0.36
KDR P35968 1/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8530835 0.90 FGFR2 (0.40) TDO2CYP3A4MAPTRAB9AALOX15
SCHEMBL1009822 0.84 SLC2A1 (0.39) IDO1TDO2CXCL12KDRCYP3A4
SCHEMBL6823069 0.84 PDE4B (0.41) KDRCYP3A4KDM4ECYP2D6CYP2C9
SCHEMBL22149138 0.78 CFTR (0.45) IDO1TDO2KIF11AKR1C3AKR1C2
SCHEMBL27788098 0.76 ALOX15 (0.41) CYP3A4KDM4ECYP1A2MAPTALOX15
SCHEMBL3947944 0.72 CSNK2A2 (0.39) KDM4EMAPTRAB9ALMNATP53
SCHEMBL175821 0.72 MCHR1 (0.40) MCHR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1816876 0.72 IDO1 (0.39) IDO1TDO2KIF11MCHR1BCHE
SCHEMBL9898544 0.70 KCNA5 (0.41) BACE1CYP3A4KDM4ECYP1A2CYP2D6
SCHEMBL14762327 0.69 S1PR1 (0.39) MCHR1AKR1C3AKR1C2MAPT

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 7 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 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 IDO1 75/4885TDO2 17/4885KIF11 2984/4885

“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.