SCHEMBL23915504

SCHEMBL23915504

CC(C)(C)OC(=O)/C=C1/OC(=O)c2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 3/20 0.34
CCNB2 O95067 3/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CCNB3 Q8WWL7 3/20 0.34
CCR6 P51684 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA6 Q16445 1/20 0.34
S100A4 P26447 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL23915344 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL23909086 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL23909087 0.83 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL23966494 0.77 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19565773 0.77 KDM4E (0.33) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL15217605 0.77 KDM4E (0.33) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL23914735 0.74 KDM4E (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23909069 0.74 CCNB2 (0.42) RAB9AHSP90AA1CCNB2CDK1CCNB1
SCHEMBL15217608 0.71 MEN1 (0.30) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19565774 0.71 MEN1 (0.30) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 RAB9A 2691/4885NPC1 467/4885RECQL 1509/4885

“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.