SCHEMBL21873995

SCHEMBL21873995

COC(=O)C1(c2ccc(OCc3ccccc3)cc2)CC(O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
EPHX2 P34913 2/20 0.46
LTA4H P09960 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 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
SCHEMBL21874358 0.87 NR4A1 (0.51) ADAM17NPC1RAB9AFAAHCNR2
SCHEMBL20755014 0.87 NPC1 (0.55) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL23164194 0.85 NPC1 (0.52) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL21873960 0.85 NPC1 (0.52) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL25315132 0.84 NPC1 (0.51) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL21874142 0.82 NPC1 (0.50) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL21873975 0.82 S1PR5 (0.47) ADAM17NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23164215 0.81 MMP1 (0.54) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL21961641 0.81 NPC1 (0.49) ADAM17NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL31525785 0.80 ALDH1A1 (0.46) SMN1; SMN2CNR2MAOBALDH1A1EPHX2

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 ADAM17 4369/4885NPC1 2688/4885RAB9A 3482/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 ADAM17 4369/4885NPC1 2688/4885RAB9A 3482/4885

“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.