SCHEMBL17457779

SCHEMBL17457779

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.65
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 1/20 0.52
PGK1 P00558 2/20 0.51
PGK2 P07205 2/20 0.51
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
MLYCD O95822 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL6865758 0.85 MEN1 (0.62) ACP3MEN1KMT2AMAPTHTT
SCHEMBL4994236 0.83 ACP3 (0.51) ACP3MEN1KMT2AMAPTHTT
SCHEMBL4994252 0.83 ACP3 (0.51) ACP3MEN1KMT2AMAPTPGK1
SCHEMBL30235602 0.81 MEN1 (0.66) ACP3MEN1KMT2AMAPTHTT
SCHEMBL10900761 0.81 MEN1 (0.66) ACP3MEN1KMT2AMAPTHTT
SCHEMBL2407518 0.80 MEN1 (0.56) ACP3MEN1KMT2AMAPTHTT
SCHEMBL6929122 0.80 TAAR1 (0.57) ACP3MEN1KMT2AMAPTHTT
SCHEMBL8232750 0.80 MEN1 (0.56) ACP3MEN1KMT2AMAPTHTT
SCHEMBL1295378 0.80 MEN1 (0.56) ACP3MEN1KMT2AMAPTHTT
SCHEMBL8938031 0.79 ACP3 (1.00) ACP3MEN1KMT2AMAPTPGK1

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-9340534-B2 Compounds and methods for treating ocular diseases ALLERGAN, INC. (US) 2016-05-17 US disclosed
US-20160024068-A1 COMPOUNDS AND METHODS FOR TREATING OCULAR DISEASES ALLERGAN, INC. 2016-01-28 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-20160024068-A1 COMPOUNDS AND METHODS FOR TREATING OCULAR DISEASES ALDH1A2, PTGS1, PTGIS ACP3 1631/4885MEN1 1926/4885KMT2A 4257/4885

“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.