SCHEMBL3283035

SCHEMBL3283035

CCc1c(OC(C)=O)ccc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PTGS1 P23219 1/20 0.44
TNFSF11 O14788 1/20 0.43
NR3C1 P04150 1/20 0.43
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL30587342 0.83 KDM4E (0.47) TSHRPTGS1TDP1KDM4EALDH1A1
SCHEMBL29058037 0.83 KDM4E (0.47) TSHRPTGS1TDP1KDM4EALDH1A1
SCHEMBL10536230 0.82 PTGS1 (0.62) TSHRPTGS1TNFSF11NR3C1JUN
SCHEMBL286388 0.82 ALDH1A1 (0.43) TSHRPTGS1TNFSF11NR3C1MAPT
SCHEMBL6971645 0.81 TSHR (0.45) TSHRPTGS1TNFSF11NR3C1JUN
SCHEMBL151821 0.81 TSHR (0.55) TSHRPTGS1TNFSF11NR3C1JUN
SCHEMBL18475471 0.81 PTGS2 (0.46) TSHRMAPTTDP1TUBB1KDM4E
SCHEMBL29695219 0.76 MAPT (0.36) MAPTTDP1ALDH1A1GAA
SCHEMBL3782773 0.76 MAPT (0.62) TSHRMAPTTDP1TUBB1KDM4E
SCHEMBL27496747 0.76 PTGS2 (0.50) TSHRPTGS1TDP1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569317-B2 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2013-10-29 US disclosed
US-7696216-B2 Aryl-quinazoline/aryl-2-amino-phenyl methanone derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20100063075-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives ALTMANN EVA 2010-03-11 US disclosed
EP-1585521-B8 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-03-25 EP disclosed
EP-1585521-B1 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2008-06-18 EP disclosed
EP-1844780-A2 Derivatives of aryl-quinazoline/aryl-2-amino-phenyl methanone which promote the release of parathyroid hormone Novartis Pharma AG (CH) 2007-10-17 EP disclosed
US-20060079685-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives NOVARTIS AG (CH) 2006-04-13 US disclosed
EP-1585521-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2005-10-19 EP disclosed
WO-2004056365-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2004-07-08 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-20060079685-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives PTH1R, PTMS, CYP24A1 TSHR 247/4885PTGS1 1683/4885TNFSF11 2799/4885
US-20100063075-A1 Aryl-quinazoline/aryl-2amino-phenyl methanone derivatives PTH1R, PTMS, CYP24A1 TSHR 252/4885PTGS1 1589/4885TNFSF11 2866/4885

“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.