SCHEMBL17899378

SCHEMBL17899378

CC(=O)Nc1ccc(C(C)=O)cc1Oc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.46
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17899404 0.92 BRD4 (0.45) BRD4LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL17931463 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL17899405 0.83 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL17931460 0.83 PDE4D (0.40) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL17888545 0.82 KDM4E (0.39) LMNASMN1; SMN2ALDH1A1KDM4EADRB2
SCHEMBL17888651 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL17888595 0.80 MAPT (0.44) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17888598 0.79 PARP10 (0.38) SMN1; SMN2ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL17899132 0.76 MAPT (0.41) LMNAALDH1A1KDM4EADRB2ADRB1
SCHEMBL17899158 0.75 AKR1C3 (0.41) ALDH1A1KDM4EL3MBTL1GAA

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-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI BRD4 1976/4885LMNA 3445/4885SMN1; SMN2 2629/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 BRD4 216/4885LMNA 2746/4885SMN1; SMN2 4397/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A BRD4 256/4885LMNA 2411/4885SMN1; SMN2 4358/4885

“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.