SCHEMBL4185735

SCHEMBL4185735

[CH2]c1c(OCC)cccc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 6/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
CYP2A6 P11509 1/20 0.43
GRK6 P43250 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
NQO1 P15559 1/20 0.42

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
SCHEMBL10979658 0.91 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL688266 0.85 L3MBTL1 (0.51) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL4174956 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL29428929 0.78 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL578986 0.78 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL93705 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL16953687 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL796952 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL2068454 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL3818341 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101686665-B Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-04-23 CN disclosed
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
CN-101686665-A styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2010-03-31 CN disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 ALDH1A1 1154/4885L3MBTL1 4609/4885MAPT 3635/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 ALDH1A1 1245/4885L3MBTL1 4373/4885MAPT 3560/4885

“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.