SCHEMBL23908897

SCHEMBL23908897

O=C(O)/C=C1\OC(=O)c2cccc(Br)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
TYMS P04818 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TGM2 P21980 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23966516 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL23966517 0.78 ALDH1A1 (0.40) CA1CA2CA7CA9ALDH1A1
SCHEMBL8767247 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL8767253 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL17293790 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL550679 0.73 ALOX15 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL29569862 0.73 ALOX15 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL23909069 0.71 CCNB2 (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL4179573 0.71 ADORA2A (0.40) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL4179568 0.71 ADORA2A (0.40) ALDH1A1KDM4EHPGDL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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 (1 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 CA1 4775/4885CA2 3170/4885CA7 4440/4885

“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.