SCHEMBL21101819

SCHEMBL21101819

O=C(O)C1(c2ccc(OCc3ccccc3)cc2)CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 2/20 0.48
PARP10 Q53GL7 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SRD5A2 P31213 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL14347698 0.93 NR4A1 (0.57) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL27078205 0.87 MEN1 (0.63) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL21961641 0.87 NPC1 (0.49) NR4A1NR4A2NR4A3MAOBMMP2
SCHEMBL21874210 0.86 MEN1 (0.62) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL23163539 0.84 MMP1 (0.53) NR4A1NR4A2NR4A3MEN1KMT2A
SCHEMBL21874228 0.83 KMT2A (0.54) MEN1KMT2ATSHRCYP1A2CYP2C19
SCHEMBL14347696 0.82 MAOB (0.59) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL21874079 0.82 LMNA (0.51) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL21874162 0.81 S1PR5 (0.47) CYP2C19
SCHEMBL21874324 0.81 ADAM17 (0.41) NR4A1NR4A2NR4A3MEN1KMT2A

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 6 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
WO-2019111980-A1 CYCLOALKYLACETIC ACID-TYPE DIAMIDE DERIVATIVE 第一三共株式会社 2019-06-13 WO 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 NR4A1 301/4885NR4A2 207/4885NR4A3 183/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 NR4A1 301/4885NR4A2 207/4885NR4A3 183/4885

“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.