SCHEMBL3059809

SCHEMBL3059809

COc1cc(C2C(C(=O)OCc3ccccc3)=C(C)NC(C)=C2C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.73
TSHR P16473 4/20 0.73
BLM P54132 1/20 0.73
MAPK10 P53779 2/20 0.60
HTT P42858 2/20 0.60
PDE1C Q14123 4/20 0.60
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADORA3 P0DMS8 2/20 0.51
CACNA1B Q00975 1/20 0.50
MAPT P10636 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
SCHEMBL9424581 0.88 PDE1C (0.64) GAATSHRBLMPDE1CALDH1A1
SCHEMBL3028393 0.86 GAA (0.66) GAATSHRBLMHTTHSD17B10
SCHEMBL13088047 0.85 PDE1C (0.61) GAATSHRBLMMAPK10PDE1C
SCHEMBL10830286 0.82 PDE1C (0.70) TSHRPDE1CALDH1A1KDM4ESMN1; SMN2
SCHEMBL3004824 0.81 PDE1C (0.69) TSHRHTTPDE1CALDH1A1MEN1
SCHEMBL9424586 0.80 CACNA1B (0.56) GAATSHRBLMPDE1CCACNA1B
SCHEMBL17701111 0.79 ALDH1A1 (0.67) GAATSHRBLMMAPK10HTT
SCHEMBL7818687 0.78 GAA (0.67) GAATSHRBLMMAPK10HTT
SCHEMBL11735173 0.77 KMT2A (0.53) GAATSHRBLMMAPK10HTT
SCHEMBL7817808 0.77 THRB (0.59) GAATSHRBLMHSD17B10ALDH1A1

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-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US claimed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 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-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 GAA 4804/4885TSHR 151/4885BLM 4298/4885

“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.