SCHEMBL9430552

SCHEMBL9430552

C=CCCNC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CA3 P07451 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA2 P00918 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
EPHX1 P07099 1/20 0.47
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MTNR1A P48039 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
SCHEMBL6819670 0.86 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5057478 0.84 MEN1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19549140 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL989637 0.80 CA3 (0.63) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7599922 0.78 LMNA (0.39) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9030133 0.78 CA3 (0.60) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL236402 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL499036 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22856384 0.74 EPHX1 (0.37) ALDH1A1SMN1; SMN2KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207992-A1 PHOTOCHEMICAL MODIFICATION OF A SOLID SURFACE Micronit Microfluidics B.V. (NL) 2017-08-23 EP disclosed
EP-1363640-B1 NUCLEIC ACID DERIVATIVES BIO RAD LABORATORIES (US) 2010-04-28 EP disclosed
US-7683164-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2010-03-23 US disclosed
US-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy BIO-RAD LABORATORIES INC. (US) 2009-01-01 US disclosed
WO-1994026738-A1 N'-HETEROCYCLYL-N-BENZOFURANYL UREA DERIVATIVES AND THEIR ANALOGS AS ACAT INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO 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-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy POLRMT, NSUN2, RNGTT ALDH1A1 2920/4885SMN1; SMN2 330/4885POLB 34/4885

“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.