SCHEMBL4990744

SCHEMBL4990744

COc1ccc(/C=C(\C#N)c2ccc(O)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
NQO2 P16083 2/20 0.63
RECQL P46063 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HIF1A Q16665 1/20 0.63
EGFR P00533 1/20 0.63
PDGFRB P09619 1/20 0.63
PDGFRA P16234 1/20 0.63
TUBB4A P04350 3/20 0.60
TUBB P07437 3/20 0.60
TUBA3C P0DPH7 3/20 0.60
TUBA1B P68363 3/20 0.60
TUBA4A P68366 3/20 0.60
TUBB4B P68371 3/20 0.60
TUBB3 Q13509 3/20 0.60
TUBB2A Q13885 3/20 0.60
TUBB8 Q3ZCM7 3/20 0.60
TUBA3E Q6PEY2 3/20 0.60
TUBA1A Q71U36 3/20 0.60

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
SCHEMBL4990755 1.00 ESR1 (0.64) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4994326 0.91 ESR1 (0.64) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4994318 0.91 ESR1 (0.64) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4996750 0.91 ESR1 (0.64) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4996079 0.90 ESR1 (0.62) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4996085 0.90 ESR1 (0.62) ESR1ESR2NQO2RECQLSMN1; SMN2
SCHEMBL4996875 0.90 RECQL (0.67) NQO2RECQLSMN1; SMN2HIF1AEGFR
SCHEMBL4996892 0.90 RECQL (0.67) NQO2RECQLSMN1; SMN2HIF1AEGFR
SCHEMBL12507433 0.90 RECQL (0.67) NQO2RECQLSMN1; SMN2HIF1AEGFR
SCHEMBL8397007 0.89 NQO2 (0.75) NQO2RECQLSMN1; 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 ESR1 413/4885ESR2 454/4885NQO2 811/4885

“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.