SCHEMBL20523894

SCHEMBL20523894

N#CCC(=O)OCc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 6/20 0.45
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
IDO1 P14902 2/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 2/20 0.43

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
SCHEMBL23135435 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL11525938 0.78 EPHX1 (0.48) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL27564590 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL10616925 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL28702044 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL1790733 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL187996 0.76 ALDH1A1 (0.61) ALDH1A1LMNAL3MBTL1KMT2ATDP1
SCHEMBL9186019 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL1790735 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL2266698 0.74 MCL1 (0.61) ALDH1A1SMN1; SMN2LMNAKMT2ATDP1

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 ALDH1A1 626/4885SMN1; SMN2 1105/4885LMNA 1021/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 626/4885SMN1; SMN2 1105/4885LMNA 1021/4885

“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.