SCHEMBL16638440

SCHEMBL16638440

CC(O)(Cn1c2c(c3cc(CO)ccc31)CCCC2)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
HRH1 P35367 4/20 0.38
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
LMNA P02545 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TBXA2R P21731 1/20 0.35
BLM P54132 1/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16638428 0.89 HSD17B10 (0.48) HTR6HRH1HSD17B10MEN1KMT2A
SCHEMBL16638431 0.88 PTGS1 (0.41) HTR6HRH1HSD17B10KDM4ECA1
SCHEMBL13833898 0.88 SIRT2 (0.38) HTR6HRH1PTGS1PTGS2
SCHEMBL12480082 0.88 HTR6 (0.55) HTR6HRH1KDM4EALDH1A1
SCHEMBL17220810 0.81 HTR6 (0.56) HTR6HRH1KDM4EALDH1A1
SCHEMBL17220714 0.81 HTR6 (0.56) HTR6HRH1KDM4EALDH1A1
SCHEMBL17220712 0.81 HTR6 (0.56) HTR6HRH1KDM4EALDH1A1
SCHEMBL13834929 0.80 HTR6 (0.57) HTR6HRH1
SCHEMBL12480260 0.78 HRH1 (0.56) HTR6HRH1
SCHEMBL14729155 0.78 HTR6 (0.46) HTR6HRH1

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-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885HRH1 93/4885HSD17B10 724/4885

“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.