SCHEMBL2315369

SCHEMBL2315369

CC(C)C(O)C(CCCCOc1cc(F)ccc1F)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP3A7 P24462 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A43 Q9HB55 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL2160987 0.90 MEN1 (0.47) MAPK1MEN1KMT2ATDP1CYP19A1
SCHEMBL2170715 0.85 MAPK1 (0.44) MAPK1MEN1KMT2ATDP1CYP19A1
SCHEMBL12336846 0.81 MEN1 (0.47) MAPK1MEN1KMT2ATDP1CYP19A1
SCHEMBL2172544 0.81 MEN1 (0.51) MAPK1MEN1KMT2ATDP1LMNA
SCHEMBL1923135 0.81 MEN1 (0.56) MAPK1MEN1KMT2ATDP1CYP19A1
SCHEMBL3233026 0.80 MAPK1 (0.51) MAPK1MEN1KMT2ATDP1CYP3A4
SCHEMBL2161013 0.79 MAPK1 (0.52) MAPK1MEN1KMT2ATDP1CYP3A4
SCHEMBL2172173 0.79 KDM4E (0.52) MAPK1MEN1KMT2ATDP1CYP3A4
SCHEMBL2172805 0.78 TTR (0.31)
SCHEMBL3237155 0.78 MAPK1 (0.39) MAPK1MEN1KMT2ATDP1CYP19A1

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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR MAPK1 1624/4885MEN1 1673/4885KMT2A 2641/4885

“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.