SCHEMBL14722833

SCHEMBL14722833

COc1ccc(COC(=O)C2CC(F)(F)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 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
SCHEMBL8502974 0.83 FABP7 (0.58) FABP7FABP5ALDH1A1MMP9MMP1
SCHEMBL8191635 0.83 FABP7 (0.58) FABP7FABP5ALDH1A1MMP9MMP1
SCHEMBL2209386 0.82 TDP1 (0.50) FABP7FABP5ALDH1A1KMT2A
SCHEMBL27793138 0.81 ALDH1A1 (0.61) FABP7FABP5ALDH1A1KMT2A
SCHEMBL28813611 0.81 ALDH1A1 (0.57) FABP7FABP5ALDH1A1KMT2A
SCHEMBL14722678 0.79 FABP7 (0.51) FABP7FABP5ALDH1A1MMP9MMP1
SCHEMBL8587581 0.79 ALDH1A1 (0.63) FABP7FABP5ALDH1A1KMT2A
SCHEMBL8477590 0.78 FABP7 (0.60) FABP7FABP5ALDH1A1
SCHEMBL3736983 0.78 FABP7 (0.53) FABP7FABP5ALDH1A1MMP9MMP1
SCHEMBL10639541 0.78 FABP7 (0.60) FABP7FABP5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794605-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
CN-104024248-A SERINE/THREONINE PAK1 INHIBITORS HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-104011050-A 2, 4-diamino-pyrimidine derivatives as serine/threonine kinase inhibitors HOFFMANN LA ROCHE 2014-08-27 CN disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 FABP7 4849/4885FABP5 4863/4885RXFP1 1047/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 FABP7 4626/4885FABP5 4572/4885RXFP1 2134/4885

“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.