SCHEMBL1229317

SCHEMBL1229317

COCCc1cc(C)c(C)c(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
MAPT P10636 1/20 0.35
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
REN P00797 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
NR3C1 P04150 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2J2 P51589 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL1229578 0.90 SHBG (0.40) SHBGMAPTPDE4DPDE4APDE4B
SCHEMBL11942309 0.84 TAS1R3 (0.34) RENKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL4380347 0.81 SHBG (0.44) SHBGMAPTPDE4DPDE4APDE4B
SCHEMBL15957652 0.78 SHBG (0.52) SHBGMAPTPDE4DPDE4APDE4B
SCHEMBL1229722 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11942310 0.74 REN (0.37) RENKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL30425753 0.72 SHBG (0.39) SHBGMAPTPDE4DPDE4APDE4B
SCHEMBL357123 0.72 SHBG (0.39) SHBGMAPTPDE4DPDE4APDE4B
SCHEMBL1068764 0.71 AKR1B1 (0.43) RENKDM4EALDH1A1
SCHEMBL1229402 0.71 MAPT (0.41) MAPTKDM4EALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 SHBG 2262/4885MAPT 4673/4885PDE4D 2276/4885

“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.