SCHEMBL2393473

SCHEMBL2393473

CC[C@@H](C)Oc1cc(C=O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
TSHR P16473 1/20 0.64
FDPS P14324 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
HPGD P15428 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TTR P02766 1/20 0.48
ALDH1A3 P47895 1/20 0.47

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
SCHEMBL2393481 1.00 ALDH1A1 (0.64) ALDH1A1TSHRFDPSHDAC1HDAC2
SCHEMBL30262330 0.94 ALDH1A1 (0.64) ALDH1A1TSHRFDPSHDAC1HDAC2
SCHEMBL28283163 0.94 ALDH1A1 (0.64) ALDH1A1TSHRFDPSHDAC1HDAC2
SCHEMBL7352281 0.86 ALDH1A1 (0.62) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL6864799 0.86 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL8464433 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSHDAC1HDAC2
SCHEMBL7352330 0.84 ALDH1A1 (0.64) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL660365 0.83 ALDH1A1 (0.72) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL31009671 0.83 ALDH1A1 (0.72) ALDH1A1TSHRFDPSAOX1TRIM24
SCHEMBL16104100 0.83 ALDH1A1 (0.62) ALDH1A1TSHRFDPSAOX1TRIM24

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 14 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
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
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-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US 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
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 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
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US 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 ALDH1A1 3726/4885TSHR 3334/4885FDPS 3022/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 ALDH1A1 3726/4885TSHR 3334/4885FDPS 3022/4885

“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.