SCHEMBL135175

SCHEMBL135175

CCCCCCCCOC(=O)C(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 3/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29603281 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7525716 0.93 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29930396 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL3858691 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL30963009 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL30963008 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL29602508 0.85 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19379228 0.85 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6834698 0.85 P2RX7 (0.31)
SCHEMBL28616481 0.85 ESR1 (0.45) CNR1ALDH1A1ESR1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803368-A Color-stable, Halogen-free Flame Retardant Compositions DOW GLOBAL TECHNOLOGIES INC 2012-11-28 CN disclosed
US-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 US disclosed
CN-101679764-A Low-dust additive and pigment blends with improved color CIBA HOLDING INC 2010-03-24 CN disclosed
EP-1154311-A9 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2009-03-11 EP disclosed
CN-101095070-A Polarizing plate comprising improved glue composition EASTMAN KODAK CO (US) 2007-12-26 CN disclosed
CN-101061396-A Adhesive layer for polarizer EASTMAN KODAK CO (US) 2007-10-24 CN disclosed
US-6816298-B2 CAN BE PRODUCED WITH INEXPENSIVE CHROMOGENIC MATERIALS; DISPLAY DEVICES, SMART WINDOWS, ANTIGLARE MIRRORS FOR AUTOMOBILES, ELECTROCHROMIC MIRRORS; A BIPYRIDINIUM METALLOCENE COMPOUND IN THE ION CONDUCTIVE LAYER NIPPON MITSUBISHI OIL CORPORATION (JP) 2004-11-09 US disclosed
US-6728022-B2 Electrochromic device NIPPON OIL CORPORATION (JP) 2004-04-27 US disclosed
US-20030184839-A1 Electrochromic device NIPPON MITSUBISHI OIL CORPORATION 2003-10-02 US disclosed
US-20030072071-A1 Electrochromic device NIPPON OIL CORPORATION 2003-04-17 US disclosed
US-6519072-B2 Electrochromic device NIPPON MITSUBISHI OIL CORPORATION (JP) 2003-02-11 US disclosed
US-6514431-B1 Electroconductive substrates having electrode layers and electrolyte mixtures comprising solvents, polymers and ultraviolet radiation absorbers used in displays and light controllable glasses, windows and mirrors for automobiles NIPPON MITSUBISHI OIL CORPORATION (JP) 2003-02-04 US disclosed
US-20020015214-A1 Electrochromic Device NIPPON MITSUBISHI OIL CORPORATION 2002-02-07 US disclosed
EP-1154311-A1 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2001-11-14 EP disclosed
EP-1093131-A2 Ion conductive material Nippon Mitsubishi Oil Corporation (JP) 2001-04-18 EP 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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH PSEN1 664/4885PSEN2 1105/4885APH1B 347/4885

“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.