SCHEMBL16449231

SCHEMBL16449231

Cc1cccc(C(=O)C(C)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ACHE P22303 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KCNK3 O14649 3/20 0.48
KCNK9 Q9NPC2 2/20 0.48
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
ABCB1 P08183 1/20 0.45

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
SCHEMBL312610 0.86 ACHE (0.62) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL12164013 0.85 PARP1 (0.60) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL29137265 0.85 PARP1 (0.55) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL855152 0.84 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL10526131 0.83 PARP1 (0.53) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL16682384 0.83 PARP1 (0.53) PARP1HDAC8HDAC6ACHESMN1; SMN2
SCHEMBL19267581 0.82 ACHE (0.68) HDAC6ACHE
SCHEMBL11065475 0.82 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL29429340 0.82 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2KCNK3
SCHEMBL5752148 0.80 PARP1 (0.50) PARP1HDAC8HDAC6ACHESMN1; SMN2

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
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 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-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 PARP1 1469/4885HDAC8 3098/4885HDAC6 2883/4885

“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.