SCHEMBL4996750

SCHEMBL4996750

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.64
ESR2 Q92731 2/20 0.64
TUBB4A P04350 4/20 0.60
TUBB P07437 4/20 0.60
TUBA3C P0DPH7 4/20 0.60
TUBA1B P68363 4/20 0.60
TUBA4A P68366 4/20 0.60
TUBB4B P68371 4/20 0.60
TUBB3 Q13509 4/20 0.60
TUBB2A Q13885 4/20 0.60
TUBB8 Q3ZCM7 4/20 0.60
TUBA3E Q6PEY2 4/20 0.60
TUBA1A Q71U36 4/20 0.60
TUBA1C Q9BQE3 4/20 0.60
TUBB6 Q9BUF5 4/20 0.60
TUBB2B Q9BVA1 4/20 0.60
TUBB1 Q9H4B7 4/20 0.60
NQO2 P16083 3/20 0.59
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4994326 1.00 ESR1 (0.64) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4994318 1.00 ESR1 (0.64) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4996079 0.99 ESR1 (0.62) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4996085 0.99 ESR1 (0.62) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4990744 0.91 ESR1 (0.64) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4990755 0.91 ESR1 (0.64) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL4996892 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4996875 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12507433 0.90 RECQL (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9239062 0.89 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 8 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 claimed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US claimed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN claimed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP claimed
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 454/4885TUBB4A 3569/4885

“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.