SCHEMBL4991343

SCHEMBL4991343

COc1ccc(C(C#N)=Cc2cccc(NC(C)=O)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ CYP1A2 P05177 1/20 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
SCHEMBL4991334 1.00 POLB (0.60) POLBALDH1A1MAPTCYP3A4SMN1; SMN2
SCHEMBL5194113 0.84 CYP1A2 (0.52) MAPTCYP3A4SMN1; SMN2RECQLHIF1A
SCHEMBL5191609 0.81 PDE4A (0.57) ALDH1A1MAPT
SCHEMBL4998844 0.81 TUBB4A (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL4998847 0.81 TUBB4A (0.57) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL4821938 0.80 PDE4A (0.59) MAPTSMN1; SMN2RECQLHIF1AEGFR
SCHEMBL8397000 0.80 HIF1A (0.56) CYP3A4SMN1; SMN2RECQLHIF1AEGFR
SCHEMBL4821934 0.80 PDE4A (0.59) MAPTSMN1; SMN2RECQLHIF1AEGFR
SCHEMBL8397001 0.80 HIF1A (0.56) CYP3A4SMN1; SMN2RECQLHIF1AEGFR
SCHEMBL5190968 0.80 PDE4A (0.50) ALDH1A1MAPTCYP3A4TUBB4ATUBB

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 POLB 4081/4885ALDH1A1 1336/4885MAPT 4708/4885

“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.

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