SCHEMBL1815593

SCHEMBL1815593

CCC1(CC)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PDK2 Q15119 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTPN1 P18031 1/20 0.39
MGLL Q99685 2/20 0.37
BACE1 P56817 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL8511294 0.92 MEN1 (0.38) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL26629600 0.86 PDK2 (0.36) MEN1KMT2APDK2MAPTMGLL
SCHEMBL1813707 0.85 MEN1 (0.42) MEN1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL26629607 0.82 MEN1 (0.40) MEN1KMT2AL3MBTL1SMN1; SMN2PDK2
SCHEMBL26629610 0.81 POLB (0.32) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL30859291 0.79 MAPT (0.37) MEN1KMT2AL3MBTL1SMN1; SMN2PDK2
SCHEMBL27165411 0.79 MAPT (0.37) MEN1KMT2AL3MBTL1SMN1; SMN2PDK2
SCHEMBL8513285 0.79 CYP1A1 (0.40) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL30859289 0.77 PDK2 (0.34) MEN1KMT2AL3MBTL1PDK2NPC1
SCHEMBL27165422 0.77 PDK2 (0.34) MEN1KMT2AL3MBTL1PDK2NPC1

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-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US 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
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 US disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO 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 (2 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 MEN1 1997/4885KMT2A 1139/4885POLB 3483/4885
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 MEN1 4483/4885KMT2A 1529/4885POLB 2086/4885

“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.