SCHEMBL6653783

SCHEMBL6653783

CCOC(=O)COc1c(C(=O)OC2CCCCCCC2)c2c(c3ccccc13)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1B Q00975 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ESR1 P03372 1/20 0.32
PTPN1 P18031 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6652780 0.88 ALDH1A1 (0.34) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL8978567 0.88 MAPT (0.45) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL6650625 0.85 MEN1 (0.35) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL6653402 0.85 L3MBTL1 (0.39) ALDH1A1MAPTTP53L3MBTL1CACNA1B
SCHEMBL8978536 0.80 ALDH1A1 (0.36) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL9280386 0.79 ATM (0.38) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL6651346 0.79 L3MBTL1 (0.36) ALDH1A1MAPTKDM4ETP53L3MBTL1
SCHEMBL17929237 0.78 TSHR (0.36) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL6650817 0.77 KMT2A (0.41) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL17929228 0.76 TP53 (0.33) ALDH1A1MAPTHPGDTP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248778-B1 SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO 1,2-B] PYRAN COMPOUNDS PPG IND OHIO INC (US) 2004-06-16 EP claimed
US-6340766-B1 PHOTOCHROMIC DYES ON SUBSTRATES LIKE GLASS WITH PROTECTIVE COATINGS TRANSITION OPTICAL, INC. 2002-01-22 US claimed
US-20020007078-A1 Novel substituted naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2002-01-17 US claimed
EP-1248778-B1 SUBSTITUTED PHOTOCHROMIC 2H-NAPHTHO 1,2-B] PYRAN COMPOUNDS PPG IND OHIO INC (US) 2004-06-16 EP disclosed
US-6340766-B1 PHOTOCHROMIC DYES ON SUBSTRATES LIKE GLASS WITH PROTECTIVE COATINGS TRANSITION OPTICAL, INC. 2002-01-22 US disclosed
US-20020007078-A1 Novel substituted naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2002-01-17 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-20020007078-A1 Novel substituted naphthopyrans CRYZ, NR2E3, UACA ALDH1A1 609/4885MAPT 1279/4885GAA 527/4885

“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.