SCHEMBL16638434

SCHEMBL16638434

CC(O)(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
ACLY P53396 1/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
BAZ2B Q9UIF8 3/20 0.39
HTR6 P50406 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HRH1 P35367 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
SCHEMBL16638431 0.88 PTGS1 (0.41) PTGS1PTGS2ACLYHSD17B10KDM4E
SCHEMBL12480210 0.85 CYP3A4 (0.43) HSD17B10KDM4ELMNAALDH1A1MAPT
SCHEMBL16638425 0.85 PTGS1 (0.44) PTGS1PTGS2ACLYHSD17B10KDM4E
SCHEMBL166839 0.85 HTR6 (0.53) BAZ2BHTR6HDAC1HDAC6HRH1
SCHEMBL16638419 0.83 PTGS1 (0.32) PTGS1PTGS2ACLYCA1CA2
SCHEMBL12479950 0.81 CNR1 (0.47) BAZ2BHTR6PTGDR2HDAC1HDAC6
SCHEMBL13293718 0.80 HRH1 (0.39) BAZ2BHTR6HDAC1HDAC6HRH1
SCHEMBL2193338 0.80 BAZ2B (0.36) KDM4ELMNAALDH1A1MAPTBAZ2B
SCHEMBL3236264 0.79 HDAC1 (0.48) PTGS1PTGS2ACLYBAZ2BHTR6
SCHEMBL13293494 0.77 BAZ2B (0.45) ALDH1A1BAZ2BHTR6PTGDR2HDAC1

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.