SCHEMBL21874201

SCHEMBL21874201

O=C(O)C1(c2ccc(-c3ccccc3)c(F)c2)CCC(F)(F)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.69
CYP2C9 P11712 7/20 0.69
CYP2C19 P33261 6/20 0.69
CYP3A4 P08684 6/20 0.69
CYP2D6 P10635 3/20 0.69
AKR1C3 P42330 7/20 0.65
AKR1C2 P52895 7/20 0.65
AKR1C1 Q04828 4/20 0.65
AKR1C4 P17516 2/20 0.62
AKR1B10 O60218 1/20 0.62
PSEN1 P49768 1/20 0.62
PSEN2 P49810 1/20 0.62
APH1B Q8WW43 1/20 0.62
NCSTN Q92542 1/20 0.62
APH1A Q96BI3 1/20 0.62
PSENEN Q9NZ42 1/20 0.62
CYP1A2 P05177 1/20 0.54
HDAC1 Q13547 1/20 0.50
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 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
SCHEMBL411735 0.94 APP (0.76) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL29510710 0.83 APP (0.50) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1371366 0.83 APP (0.97) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL5448540 0.82 APP (1.00) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2776247 0.82 APP (0.89) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL21961569 0.81 APP (0.47) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2777333 0.81 APP (1.00) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1371930 0.80 APP (0.82) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL21873946 0.80 APP (0.56) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL7407126 0.80 APP (0.56) APPCYP2C9CYP2C19CYP3A4CYP2D6

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
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP 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 (2 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 APP 3206/4885CYP2C9 4710/4885CYP2C19 4431/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 APP 3206/4885CYP2C9 4710/4885CYP2C19 4431/4885

“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.