SCHEMBL5097833

SCHEMBL5097833

COc1ccc2c3c(c(C(=O)OC4CCCCC4)cc2c1)C=CC(c1ccccc1)(c1ccccc1)O3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 4/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6653085 0.98 KMT2A (0.39) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL6651700 0.96 MEN1 (0.38) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL6650438 0.89 MEN1 (0.41) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL10102246 0.88 MEN1 (0.40) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL4798246 0.86 PLA2G2A (0.41) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7784131 0.81 MAPT (0.39) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL6653732 0.81 MEN1 (0.40) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL7785467 0.80 KDM4E (0.39) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6650817 0.78 KMT2A (0.41) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL13005296 0.78 MAPT (0.42) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US claimed
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
US-7320826-B2 comprises 3-(4-methoxyphenyl)-3-phenyl-6,7,10,11-tetramethoxy-13-ethyl-13-hydroxy-13H-3H-indeno[2,'3,'3,4]naphtho[1,2-b]pyran; for activation via actinic radiation; improved optical density response; ophthalmic lens PPG INDUSTRIES OHIO, INC. (US) 2008-01-22 US disclosed
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US disclosed
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 MEN1 4666/4885KMT2A 2921/4885RAB9A 4499/4885

“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.