SCHEMBL2392650

SCHEMBL2392650

CCC(C)Oc1ccc(CC(=O)O)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
FFAR1 O14842 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
APP P05067 1/20 0.44
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2392647 1.00 FFAR4 (0.47) FFAR4SLC22A12POLBMAPTTHRB
SCHEMBL12258179 0.90 GLRA1 (0.45) FFAR4POLBMAPTTHRBFFAR1
SCHEMBL8072663 0.87 GAA (0.50) SLC22A12POLBMAPTRXRARXRB
SCHEMBL3817639 0.84 FFAR4 (0.55) FFAR4SLC22A12POLBMAPTTHRB
SCHEMBL2396192 0.83 CA5A (0.58) MAPTKDM4ELMNANPC1HPGD
SCHEMBL2396195 0.83 CA5A (0.58) MAPTKDM4ELMNANPC1HPGD
SCHEMBL6035750 0.83 MAPT (0.61) FFAR4SLC22A12POLBMAPTTHRB
SCHEMBL2391945 0.81 SMPD1 (0.61) FFAR4FFAR1RXRAAPPNPC1
SCHEMBL2391409 0.80 MAPK1 (0.41) POLBMAPTTHRBKDM4ELMNA
SCHEMBL2391403 0.80 MAPK1 (0.41) POLBMAPTTHRBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 FFAR4 2448/4885SLC22A12 3392/4885POLB 2605/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 FFAR4 2448/4885SLC22A12 3392/4885POLB 2605/4885

“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.