SCHEMBL3472780

SCHEMBL3472780

COc1cccc(C(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.59
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MTNR1B P49286 1/20 0.54
PARP1 P09874 1/20 0.54
VNN1 O95497 1/20 0.51
CYP2C8 P10632 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CNR2 P34972 1/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
SLC6A2 P23975 1/20 0.48
CHRNB4 P30926 1/20 0.48

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
SCHEMBL2303699 0.85 STS (0.72) STSCES2CES1KMT2AMEN1
SCHEMBL4823687 0.85 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL31414638 0.85 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL11710184 0.84 STS (0.67) STSCES2CES1KMT2AMEN1
SCHEMBL9278411 0.84 HPGD (0.69) STSCES2CES1KMT2AMEN1
SCHEMBL30414806 0.83 MEN1 (0.69) STSCES2CES1KMT2AMEN1
SCHEMBL755443 0.83 MEN1 (0.69) STSCES2CES1KMT2AMEN1
Hydrochloric Acid SCHEMBL27733557 0.83 CES2 (0.74) STSCES2CES1KMT2AMEN1
SCHEMBL1992698 0.82 CYP2C8 (0.69) STSCES2CES1KMT2AMEN1
SCHEMBL5389255 0.82 STS (0.64) STSCES2CES1KMT2AMEN1

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
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 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 (1 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA STS 968/4885CES2 3607/4885CES1 1782/4885

“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.