SCHEMBL4990164

SCHEMBL4990164

COc1ccc(/C(C#N)=C/c2ccccc2F)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
RECQL P46063 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46

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
SCHEMBL4990181 1.00 PDE4B (0.48) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL5001723 0.90 ALDH1A1 (0.47) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL5001724 0.90 ALDH1A1 (0.47) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4990462 0.89 ALDH1A1 (0.46) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4990469 0.89 ALDH1A1 (0.46) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4996773 0.86 PDE4B (0.50) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4996783 0.86 PDE4B (0.50) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4998780 0.86 MEN1 (0.50) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4998921 0.86 MEN1 (0.50) PDE4BRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4998925 0.86 MEN1 (0.50) PDE4BRECQLSMN1; SMN2HIF1AEGFR

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
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 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 (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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 PDE4B 4797/4885RECQL 3707/4885SMN1; SMN2 4710/4885

“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.