SCHEMBL709523

SCHEMBL709523

COc1ccc(C=CC=Cc2ccccn2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.57
CYP1B1 Q16678 5/20 0.57
CYP1A2 P05177 3/20 0.57
CYP19A1 P11511 2/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
NQO2 P16083 3/20 0.53
GLA P06280 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAOB P27338 2/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49

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
SCHEMBL709522 1.00 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2CYP19A1MAPT
SCHEMBL8854378 0.91 CYP1A1 (0.65) CYP1A1CYP1B1CYP1A2CYP19A1MAPT
SCHEMBL22010235 0.91 CYP1A1 (0.65) CYP1A1CYP1B1CYP1A2CYP19A1MAPT
SCHEMBL709202 0.88 PTGS1 (0.49) CYP1A1CYP1B1CYP1A2CYP19A1MAPT
SCHEMBL709201 0.88 PTGS1 (0.49) CYP1A1CYP1B1CYP1A2CYP19A1MAPT
SCHEMBL708383 0.87 XDH (0.62) MAPTGAARAB9AMAOBMAOA
SCHEMBL708382 0.87 XDH (0.62) MAPTGAARAB9AMAOBMAOA
SCHEMBL710996 0.85 KRAS (0.58) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL710997 0.85 KRAS (0.58) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL4410288 0.80 CYP1A1 (0.86) CYP1A1CYP1B1CYP1A2CYP19A1MAPT

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-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 US 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB CYP1A1 131/4885CYP1B1 175/4885CYP1A2 198/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 CYP1A1 72/4885CYP1B1 135/4885CYP1A2 113/4885

“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.