SCHEMBL4142850

SCHEMBL4142850

Cc1nc(-c2ccccc2OCc2ccccc2)n(CCc2ccccc2)c(=O)c1-c1ccc(CO)s1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.70
CASR P41180 16/20 0.58
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL4138510 0.90 CASR (0.67) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL13851736 0.90 NR1I2 (0.67) NR1I2CASR
SCHEMBL4142963 0.88 CASR (0.57) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4138653 0.86 NR1I2 (0.78) NR1I2CASR
SCHEMBL4143278 0.85 CASR (0.54) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4138096 0.85 CASR (0.69) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4138553 0.84 CASR (0.52) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4147810 0.84 CASR (0.56) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4144136 0.83 CASR (0.51) NR1I2CASRALDH1A1LMNACYP1A2
SCHEMBL4143983 0.82 CASR (0.52) NR1I2CASRALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB NR1I2 3373/4885CASR 12/4885ALDH1A1 4674/4885

“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.