SCHEMBL28117924

SCHEMBL28117924

O=C(OCc1cccc(F)c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KDM4E B2RXH2 4/20 0.65
MAPT P10636 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HCAR2 Q8TDS4 1/20 0.60
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP12 P39900 1/20 0.59
RAB9A P51151 4/20 0.59
GAA P10253 1/20 0.59
STAT1 P42224 1/20 0.59
NR4A2 P43354 2/20 0.58
LMNA P02545 2/20 0.58

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
SCHEMBL5336730 0.92 KDM4E (0.67) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL20119309 0.90 TDP1 (0.69) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL5085785 0.88 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL6759722 0.87 KDM4E (0.53) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL28895934 0.87 KMT2A (0.68) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL1787512 0.83 HCAR2 (0.67) KDM4EMAPTCYP1A2CYP2D6CYP2C9
Benzyl Benzoate SCHEMBL901058 0.82 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3KDM4E
Benzyl Benzoate SCHEMBL3038 0.82 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3KDM4E
Benzyl Benzoate SCHEMBL8010992 0.82 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3KDM4E
SCHEMBL6667657 0.82 TDP1 (0.71) KMT2ATDP1SLC6A2SLC6A3KDM4E

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-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
CN-103261156-B For treating the noval chemical compound of neurodegenerative disease 鲁汶天主教大学研究开发部 2016-12-28 CN 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KMT2A 3013/4885TDP1 890/4885SLC6A2 2/4885

“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.