SCHEMBL17896571

SCHEMBL17896571

Cc1cc(C(C)(C)C)ccc1OCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.60
VDR P11473 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.57
PPARD Q03181 10/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ELANE P08246 1/20 0.50
CD69 Q07108 1/20 0.50

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
SCHEMBL13580642 0.89 CYP2C19 (0.66) CYP2C19SMN1; SMN2VDRMRGPRX4PPARD
SCHEMBL13757719 0.88 CYP2C19 (0.74) CYP2C19SMN1; SMN2PTGDR2HTTKMT2A
SCHEMBL5284414 0.85 PTGDR2 (0.70) CYP2C19SMN1; SMN2PTGDR2HTTKMT2A
SCHEMBL5321878 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2PPARDPTGDR2PPARG
SCHEMBL4642505 0.84 CYP2C19 (1.00) CYP2C19SMN1; SMN2PPARDPTGDR2KDM4E
SCHEMBL5320268 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2KDM4EHTT
SCHEMBL13624055 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2HTTKMT2A
SCHEMBL14076372 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2MRGPRX4PTGDR2HTT
SCHEMBL4909292 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2PPARDPTGDR2PPARA
SCHEMBL12213691 0.84 CYP2C19 (0.68) CYP2C19SMN1; SMN2VDRPPARDPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 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 (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-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 CYP2C19 2645/4885SMN1; SMN2 661/4885VDR 80/4885

“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.