SCHEMBL21724320

SCHEMBL21724320

CN(Cc1ccc(Br)cc1)C(=O)OCc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KMT2A Q03164 4/20 0.40
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
MEN1 O00255 2/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
PYCR1 P32322 1/20 0.38
LSS P48449 2/20 0.38
MAOB P27338 1/20 0.38
MMP1 P03956 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1901573 0.86 CHRNB2 (0.53) KDM4EMAPTALDH1A1HPGDCHRNB2
SCHEMBL27825262 0.86 CHRNB2 (0.57) MAPTALDH1A1HPGDCHRNB2CHRNB4
SCHEMBL5598339 0.77 CHRNB2 (0.47) KDM4EMAPTALDH1A1HPGDCHRNB2
SCHEMBL13687204 0.76 CHRNB2 (0.61) MAPTALDH1A1HPGDCHRNB2CHRNB4
SCHEMBL31279443 0.72 RIPK1 (0.54) ALDH1A1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL3863448 0.72 LTB4R (0.52) KDM4EMAPTALDH1A1HPGDFABP7
SCHEMBL27804530 0.72 CHRNB2 (0.48) MAPTALDH1A1HPGDCHRNB2CHRNB4
SCHEMBL26185952 0.72 CTSL (0.43) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL1684467 0.72 PYCR1 (0.42) KDM4EMAPTALDH1A1HPGDPYCR1
SCHEMBL20683501 0.71 CHRNB2 (0.53) KDM4EMAPTALDH1A1CHRNB2CHRNB4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 KDM4E 4256/4885MAPT 2905/4885ALDH1A1 774/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 KDM4E 4256/4885MAPT 2905/4885ALDH1A1 774/4885

“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.