SCHEMBL2699404

SCHEMBL2699404

CCN(C(=O)CC(F)(F)F)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GLA P06280 1/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MLYCD O95822 1/20 0.50
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL2705807 0.87 ALDH1A1 (0.56) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8331576 0.84 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL9750622 0.84 ALDH1A1 (0.45) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3364487 0.80 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2030599 0.80 ALDH1A1 (0.70) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12298739 0.79 TSHR (0.45) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2754131 0.79 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL31211562 0.79 ALDH1A1 (0.63) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL27935329 0.79 POLQ (0.58) ALDH1A1MEN1KMT2AMLYCDCYP3A4
SCHEMBL3837959 0.78 ALDH1A1 (0.68) ALDH1A1GLATSHRMEN1KMT2A

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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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-20100286202-A1 New Compounds REN, PCSK9, FURIN ALDH1A1 1484/4885GLA 948/4885TSHR 4281/4885

“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.