SCHEMBL21951007

SCHEMBL21951007

CC(=O)c1cc2c(Br)cccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
ALOX12 P18054 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 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
SCHEMBL5034819 0.86 FLT3 (0.52) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1893419 0.84 MCL1 (0.58) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29144469 0.82 KDM4E (0.48) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5584152 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18313718 0.79 KDM4E (0.54) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18313612 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8440469 0.79 MAOB (0.53) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1390660 0.78 KDM4E (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5584903 0.77 LMNA (0.59) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21951104 0.77 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10MEN1KMT2A

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
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 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 (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-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG KDM4E 1994/4885ALDH1A1 1018/4885HSD17B10 633/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG KDM4E 1994/4885ALDH1A1 1018/4885HSD17B10 633/4885

“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.