SCHEMBL15675346

SCHEMBL15675346

CC(C#Cc1ccccc1C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL15427894 0.82 LMNA (0.44) KMT2ALMNAMEN1THRBBLM
SCHEMBL9527225 0.79 LMNA (0.41) KMT2ALMNAMEN1THRBBLM
SCHEMBL15427902 0.75 LMNA (0.44) KMT2ALMNAMEN1THRBBLM
SCHEMBL9699037 0.72 LMNA (0.50) KMT2ALMNAMEN1THRBBLM
SCHEMBL30134839 0.72 RARB (0.46) KMT2ALMNAMEN1THRBBLM
SCHEMBL193992 0.71 KMT2A (0.50) KMT2ALMNAMEN1THRBBLM
SCHEMBL28273863 0.69 TSHR (0.59) KMT2ALMNAMEN1THRBBLM
SCHEMBL31587369 0.69 MEN1 (0.50) KMT2ALMNAMEN1THRBBLM
SCHEMBL13144653 0.68 LMNA (0.44) KMT2ALMNAMEN1THRBBLM
SCHEMBL709085 0.68 KMT2A (0.44) KMT2ALMNAMEN1THRBBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014078206-A1 ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-22 — — WO disclosed
US-20140135293-A1 ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-05-15 — — 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-20140135293-A1 ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR3 KMT2A 3984/4885LMNA 3211/4885MEN1 3396/4885

“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.

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