SCHEMBL4796677

SCHEMBL4796677

C#CC(O)(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KIF11 P52732 7/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL8782519 0.92 TSHR (0.44) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL10102374 0.91 CYP2C9 (0.43) MEN1KMT2AKIF11ALDH1A1SMN1; SMN2
SCHEMBL362964 0.87 TSHR (0.43) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL10102355 0.86 HTT (0.46) KIF11ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL15171997 0.85 ALDH1A1 (0.37) MEN1KMT2AKIF11ALDH1A1LMNA
SCHEMBL30056216 0.84 LMNA (0.41) KIF11ALDH1A1LMNAL3MBTL1TSHR
Dimethylamine SCHEMBL8511811 0.83 KCNN4 (0.43) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL8129683 0.83 KIF11 (0.41) MEN1KMT2AKIF11ALDH1A1SMN1; SMN2
Alcohol SCHEMBL7269785 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL7734271 0.82 CYP2C9 (0.48) KIF11ALDH1A1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487693-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2016-11-08 US disclosed
US-20140154527-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-06-05 US disclosed
US-7807075-B2 Photochromic compositions and light transmissible articles ADVANCED POLYMERIK PTY LTD (AU) 2010-10-05 US disclosed
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
EP-1963918-A1 PHOTOCHROMIC 2H-NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
US-20080006798-A1 Photochromic Compositions and Light Transmissible Articles JAMES ROBINSON SPECIALITY INGREDIENTS LTD (GB) 2008-01-10 US disclosed
US-20070249794-A1 Photochromic Compositions and Articles Comprising Polyether Oligomer POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-10-25 US disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US disclosed
US-7247262-B2 Photochromic compositions and light transmissible articles POLYMERS AUSTRALIA PTY LTD. (AU) 2007-07-24 US disclosed
WO-2007073463-A1 PHOTOCHROMIC 2H-NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 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
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 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 2921/4885KIF11 4111/4885

“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.