SCHEMBL4014567

SCHEMBL4014567

Nc1cc(OCc2ccccc2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.48
MAOB P27338 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
IKBKE Q14164 1/20 0.43
CYP3A4 P08684 2/20 0.42
TPO P07202 1/20 0.42
EPX P11678 1/20 0.42
MGMT P16455 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL4012289 0.83 MPO (0.53) MPOMAOBMAOACYP3A4IDO1
SCHEMBL4016083 0.83 MAOB (0.54) MPOMAOBMAOAL3MBTL1MGMT
SCHEMBL4268818 0.81 GABRP (0.44) MPOMAOBL3MBTL1IKBKEGABRP
SCHEMBL4012905 0.80 MAOB (0.51) MPOMAOBIDO1
SCHEMBL3938044 0.79 CYP4F2 (0.47) MPOMAOBMAOAGABRG2GABRB3
SCHEMBL4011220 0.79 MAOB (0.57) MPOMAOBGAAMAPTL3MBTL1
SCHEMBL7597801 0.79 L3MBTL1 (0.46) MPOMAOBMAPTRAB9ASMN1; SMN2
SCHEMBL9080444 0.78 NPC1 (0.45) GAARAB9ASMN1; SMN2L3MBTL1LTA4H
SCHEMBL24934571 0.76 MAOA (0.45) MAOBMAPTMAOARAB9ASMN1; SMN2
SCHEMBL23854651 0.75 TSHR (0.50) MPOMAOBIKBKECYP3A4TPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 WO disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 MPO 3801/4885MAOB 3063/4885GAA 3564/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 MPO 733/4885MAOB 695/4885GAA 159/4885

“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.