SCHEMBL995359

SCHEMBL995359

CCC=C(C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 4/20 0.47
DHODH Q02127 2/20 0.47
PLIN1 O60240 1/20 0.47
POLB P06746 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL11723691 1.00 MAPT (0.59) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL16050362 0.87 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9280536 0.87 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL27883991 0.86 TDP1 (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14273163 0.85 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12611181 0.84 CES2 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3921184 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12693571 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3921182 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4778536 0.83 KMT2A (0.81) MAPTALDH1A1MEN1KMT2AGAA

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
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
US-4588726-A 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
US-4025537-A Preparation of 3-carboalkoxy or 3-alkanoyl furans KRETCHMER RICHARD ALLAN 1977-05-24 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-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 MAPT 3994/4885ALDH1A1 3430/4885MEN1 3710/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR MAPT 804/4885ALDH1A1 3151/4885MEN1 3490/4885

“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.