SCHEMBL17426544

SCHEMBL17426544

C/C(O)=C/C(=O)c1cccc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
CTSA P10619 1/20 0.36
STAT3 P40763 1/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 1/20 0.33
MAPK10 P53779 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
AKR1C3 P42330 1/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31

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
SCHEMBL17426525 0.82 ALDH1A1 (0.42) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL25497805 0.82 ALDH1A1 (0.46) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL30805973 0.79 ALDH1A1 (0.49) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL17426540 0.79 ALDH1A1 (0.42) ALDH1A1HPGDGRM5KDM4EALOX15
Acetic Acid SCHEMBL28860398 0.78 KDM4E (0.61) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL30041316 0.77 GRM5 (0.51) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL6744 0.77 GRM5 (0.51) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL23598449 0.77 ALDH1A1 (0.45) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL4989 0.75 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL29940784 0.75 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 CN disclosed
US-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-04-05 US disclosed
US-9865826-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-09 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ALDH1A1 2571/4885HPGD 3705/4885GRM5 3645/4885
US-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 ALDH1A1 10/4885HPGD 3175/4885GRM5 1650/4885
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 ALDH1A1 10/4885HPGD 3175/4885GRM5 1650/4885

“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.