SCHEMBL1898722

SCHEMBL1898722

CCCCOC(=O)c1ccc(C(Cc2ccccc2)c2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
AKR1C3 P42330 6/20 0.46
AKR1C2 P52895 6/20 0.46
PTGS1 P23219 3/20 0.46
AKR1C1 Q04828 1/20 0.46
TSHR P16473 4/20 0.45
CYP1A2 P05177 3/20 0.45
MAPK1 P28482 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ESR1 P03372 1/20 0.45
CYP2D6 P10635 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL1898723 1.00 SLC2A1 (0.47) SLC2A1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL1896469 0.82 SLC2A1 (0.48) SLC2A1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL1896472 0.82 SLC2A1 (0.48) SLC2A1AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL6108107 0.79 ESR1 (0.58) SLC2A1TSHRCYP1A2MAPK1LMNA
SCHEMBL1896576 0.77 PTPN1 (0.50) AKR1C3AKR1C2PTGS1AKR1C1TSHR
SCHEMBL1896573 0.77 PTPN1 (0.50) AKR1C3AKR1C2PTGS1AKR1C1TSHR
SCHEMBL1898197 0.76 LMNA (0.50) AKR1C3AKR1C2PTGS1AKR1C1TSHR
SCHEMBL12668244 0.75 NPC1 (0.56) SMN1; SMN2KMT2AMAPT
SCHEMBL1895496 0.75 NPC1 (0.56) SMN1; SMN2KMT2AMAPT
SCHEMBL516998 0.74 LMNA (0.72) TSHRCYP1A2MAPK1LMNACYP2C19

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-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 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-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 SLC2A1 297/4885AKR1C3 1645/4885AKR1C2 1275/4885

“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.