SCHEMBL5001733

SCHEMBL5001733

COC(=O)c1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TUBB4A P04350 4/20 0.55
▸ TUBB P07437 4/20 0.55
▸ TUBA3C P0DPH7 4/20 0.55
▸ TUBA1B P68363 4/20 0.55
▸ TUBA4A P68366 4/20 0.55
▸ TUBB4B P68371 4/20 0.55

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
SCHEMBL5001730 1.00 MAPT (0.59) MAPTMEN1LMNAKMT2AATM
SCHEMBL4993841 0.88 PTPN7 (0.61) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4993833 0.88 PTPN7 (0.61) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4995254 0.86 TUBB4A (0.58) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL4995246 0.86 TUBB4A (0.58) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL4996892 0.86 RECQL (0.67) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12507433 0.86 RECQL (0.67) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4996875 0.86 RECQL (0.67) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13485342 0.86 ALDH1A1 (0.67) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL10413988 0.86 ALDH1A1 (0.67) MAPTMEN1LMNAKMT2ANPSR1

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 6 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
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
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 MAPT 4708/4885MEN1 4712/4885LMNA 4804/4885

“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.

Send feedback