SCHEMBL19121967

SCHEMBL19121967

COc1ccc(OCCC(C)CC(C)C)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RX3 P56373 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
CYP2D6 P10635 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL19121002 0.83 L3MBTL1 (0.44) L3MBTL1ADRA1AHTR2AALDH1A1SMN1; SMN2
SCHEMBL20350347 0.82 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19122538 0.77 CYP2D6 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL20350303 0.77 CYP2D6 (0.50) MEN1KMT2ACYP1A2CYP2C19CYP2D6
SCHEMBL7201077 0.76 MEN1 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12205076 0.75 ADRA1A (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL487152 0.74 CYP2D6 (0.67) MEN1KMT2AP2RX3P2RX2CYP2D6
SCHEMBL14200030 0.72 P2RX3 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL2185962 0.72 P2RX3 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL16472141 0.72 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 MEN1 4405/4885KMT2A 3837/4885CYP1A2 3773/4885

“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.