SCHEMBL1817358

SCHEMBL1817358

C#CC(O)(c1ccc(F)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FDPS P14324 1/20 0.36
AOC2 O75106 1/20 0.36
DAO P14920 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 2/20 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
SCHEMBL1959801 0.87 FAAH (0.47) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL719359 0.86 ALDH1A1 (0.55) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL1815976 0.85 CYP3A4 (0.49) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL24678322 0.85 CYP3A4 (0.49) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL202283 0.80 RAB9A (0.43) SMN1; SMN2CYP3A4LMNAGAACYP2D6
SCHEMBL1677141 0.80 ALDH1A1 (0.60) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL6170797 0.78 APP (0.47) SMN1; SMN2CYP3A4ALDH1A1RECQLNR1I2
SCHEMBL22005275 0.78 CYP3A4 (0.41) SMN1; SMN2CYP3A4ALDH1A1LMNATDP1
SCHEMBL3143169 0.78 NFE2L2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAMAOA
SCHEMBL10262594 0.78 LTA4H (0.47) SMN1; SMN2CYP3A4ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776436-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2019-05-08 EP disclosed
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
US-7465415-B2 Photochromic materials derived from ring-opening monomers and photochromic initiators PPG INDUSTRIES OHIO, INC. (US) 2008-12-16 US disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 WO disclosed
US-20060022176-A1 Reaction product of a ring-opening cyclic ester or carbonate and a photochromic initiator, especially a naphtho[1,2-b]quinone with one or more hydroxy groups, e.g., (1) 3,3-di(4-methoxyphenyl)-6,7-dimethoxy-13-methyl-13-(2-(2-hydroxyethoxy)ethoxy)-3H,13H-indeno[2,1-f]naphtho[1,2-b]pyran. TRANSITIONS OPTICAL LIMITED (IE) 2006-02-02 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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 SMN1; SMN2 4503/4885CYP3A4 2934/4885ALDH1A1 229/4885

“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.