SCHEMBL20187352

SCHEMBL20187352

CC1(C)OC(=O)c2ccc(Oc3ccc(C=O)cc3)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOB P27338 4/20 0.37
PDE4B Q07343 1/20 0.37
MAOA P21397 2/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL23558823 0.85 ALDH1A1 (0.42) KMT2AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL1814220 0.85 KMT2A (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4019623 0.84 KMT2A (0.39) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4026332 0.83 MAOB (0.37) KMT2AALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL30007626 0.80 LTA4H (0.45) ALDH1A1LMNAMAPTTDP1L3MBTL1
SCHEMBL20187376 0.80 LTA4H (0.45) ALDH1A1LMNAMAPTTDP1L3MBTL1
SCHEMBL1814052 0.76 KMT2A (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2412345 0.74 ELANE (0.40) KMT2AALDH1A1TDP1CYP2A6CRHBP
SCHEMBL20207096 0.74 PARP10 (0.38) KMT2AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL22419405 0.73 MAOA (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT

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
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 WO disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 KMT2A 1346/4885ALDH1A1 1595/4885LMNA 2841/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 KMT2A 1346/4885ALDH1A1 1595/4885LMNA 2841/4885

“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.