SCHEMBL19729142

SCHEMBL19729142

Cc1cc(F)c(OC2CCCCO2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.33
PTPN1 P18031 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
P2RX3 P56373 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL14901006 0.87 PTPN1 (0.38) PDE4BPTPN1MEN1KMT2AHSD11B1
SCHEMBL12831493 0.80 PTPN1 (0.39) PDE4BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL19729138 0.79 PTPN1 (0.34) PDE4BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL17370238 0.78 KDM1A (0.33) PTPN1IDO1L3MBTL1NPC1RAB9A
SCHEMBL16035389 0.77 ALDH1A1 (0.39) PDE4BPTPN1MEN1KMT2AIDO1
SCHEMBL10058953 0.77 ALDH1A1 (0.41) PDE4BPTPN1MEN1KMT2AIDO1
SCHEMBL23907105 0.77 PDE4B (0.39) PDE4BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL566227 0.76 L3MBTL1 (0.35) PTPN1MEN1KMT2AIDO1L3MBTL1
SCHEMBL23420929 0.76 PTPN1 (0.35) PDE4BPTPN1IDO1L3MBTL1HSD11B1
SCHEMBL15100430 0.75 PTPN1 (0.35) PDE4BPTPN1MEN1KMT2AIDO1

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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 PDE4B 2048/4885PTPN1 4420/4885MEN1 2412/4885

“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.