SCHEMBL557038

SCHEMBL557038

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(Cc3ccccc3)C[C@H]2CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
REN P00797 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.37
OPRL1 P41146 1/20 0.37
CCR3 P51677 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1039921 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1MEN1LMNA
SCHEMBL556327 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1MEN1LMNA
SCHEMBL1040623 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1MEN1LMNA
SCHEMBL556576 0.78 TACR1 (0.37) TSHRRENKCNH2CYP3A4
SCHEMBL6043574 0.77 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1MEN1LMNA
SCHEMBL1039923 0.74 NPY1R (0.36) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL1039922 0.74 NPY1R (0.36) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL534021 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1MEN1LMNA
SCHEMBL556532 0.72 REN (0.37) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL556577 0.71 REN (0.37) RENKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 900/4885TSHR 3174/4885MAPK1 1866/4885

“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.