SCHEMBL16638431

SCHEMBL16638431

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ACLY P53396 1/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 5/20 0.39
HTR6 P50406 3/20 0.38
BAZ2B Q9UIF8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HRH1 P35367 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 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
SCHEMBL13293776 0.89 HTR6 (0.46) CYP19A1HTR6BAZ2BHRH1PTGDR2
SCHEMBL16638428 0.89 HSD17B10 (0.48) HSD17B10LMNAKDM4EALDH1A1MAPT
SCHEMBL16638440 0.88 HTR6 (0.40) PTGS1PTGS2HSD17B10LMNAKDM4E
SCHEMBL16638434 0.88 PTGS1 (0.44) PTGS1PTGS2ACLYHSD17B10LMNA
SCHEMBL168828 0.87 HTR6 (0.54) HTR6BAZ2BHRH1
SCHEMBL13834486 0.87 CYP3A4 (0.41) MAPTCYP19A1HTR6CYP3A4
SCHEMBL12820291 0.87 HTR6 (0.45) CYP19A1HTR6BAZ2BHRH1
SCHEMBL13834395 0.84 HRH1 (0.49) HTR6BAZ2BHRH1PTGDR2
SCHEMBL12480733 0.81 HTR6 (0.37) CYP19A1HTR6BAZ2BHRH1PTGDR2
SCHEMBL16638425 0.80 PTGS1 (0.44) PTGS1PTGS2ACLYHSD17B10LMNA

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 PTGS1 291/4885PTGS2 257/4885ACLY 3893/4885

“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.