SCHEMBL9023593

SCHEMBL9023593

O=C(O)C1(c2ccc(O)cc2)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.70
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 1/20 0.54
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
APP P05067 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP3A4 P08684 1/20 0.50
HDAC4 P56524 3/20 0.47
MAP4K4 O95819 1/20 0.43
HSD11B1 P28845 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.41
TET3 O43151 1/20 0.41
FBXL19 Q6PCT2 1/20 0.41
CXXC5 Q7LFL8 1/20 0.41

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
SCHEMBL1128270 0.98 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRESR1
SCHEMBL350266 0.91 APP (0.58) AKR1C1KMT2AMEN1TSHRESR1
SCHEMBL1334283 0.85 ESR1 (0.56) AKR1C1KMT2AMEN1TSHRESR1
SCHEMBL27974576 0.83 ESR1 (0.57) AKR1C1KMT2AMEN1TSHRESR1
SCHEMBL65167 0.83 AKR1C1 (1.00) AKR1C1KMT2AMEN1TSHRHDAC4
SCHEMBL21101816 0.82 APP (0.55) AKR1C1KMT2AMEN1TSHRESR1
SCHEMBL23920041 0.82 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRHDAC4
SCHEMBL2817038 0.82 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRHDAC4
SCHEMBL9966557 0.82 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRHDAC4
SCHEMBL21873984 0.82 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRHDAC4

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 7 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
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP disclosed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 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 AKR1C1 2816/4885KMT2A 124/4885MEN1 3511/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 AKR1C1 2816/4885KMT2A 124/4885MEN1 3511/4885

“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.