SCHEMBL20523786

SCHEMBL20523786

N#CCC(=O)OCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
NR4A2 P43354 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAOB P27338 2/20 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
SCHEMBL11522867 0.83 MAPT (0.48) KMT2AALDH1A1MMP1MMP2MMP9
SCHEMBL187996 0.82 ALDH1A1 (0.61) KMT2AALDH1A1L3MBTL1MAPTLMNA
SCHEMBL20523858 0.81 HCAR2 (0.54) KDM4EMMP1MMP2MMP9MMP12
SCHEMBL11703006 0.80 ALDH1A1 (0.50) KMT2AALDH1A1MMP1MMP2MMP9
SCHEMBL20523795 0.79 CYP19A1 (0.44) KMT2AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL22981515 0.79 MEN1 (0.38) KMT2AALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL9117739 0.78 RAB9A (0.51) ALDH1A1L3MBTL1MAPTIDO1MAPK1
SCHEMBL23135454 0.77 KMT2A (0.52) KMT2AALDH1A1KDM4EMMP1MMP2
SCHEMBL10957335 0.77 IDO1 (0.50) KMT2AALDH1A1KDM4EMMP1MMP2
SCHEMBL15161585 0.77 KMT2A (0.51) KMT2AALDH1A1KDM4EMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11633415-B2 Compounds and methods useful for treating or preventing cancers THE BROAD INSTITUTE, INC. (US) 2023-04-25 US disclosed
US-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-31 US disclosed
WO-2018183936-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2018-10-04 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-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS CSNK1A1, CSNK2A1, CSNK2A3 KMT2A 74/4885ALDH1A1 626/4885KDM4E 366/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 KMT2A 74/4885ALDH1A1 626/4885KDM4E 366/4885

“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.