SCHEMBL5070866

SCHEMBL5070866

COc1ccc(CCN(C)Cc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
BLM P54132 2/20 0.67
PMP22 Q01453 1/20 0.67
KDM4E B2RXH2 5/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
CYP2C9 P11712 1/20 0.64
ALDH1A1 P00352 3/20 0.63
AOC3 Q16853 2/20 0.56
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51

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
SCHEMBL514870 0.88 KMT2A (0.82) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL8789804 0.87 CYP19A1 (0.67) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL8789896 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL8836555 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL7430428 0.82 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL10390463 0.82 KDM4E (0.80) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL3153112 0.81 KDM4E (0.72) CYP1A2CYP3A4CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL7194533 0.80 BLM (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
Hydrochloric Acid SCHEMBL29651387 0.80 BLM (1.00) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL29336578 0.80 TSHR (0.69) CYP1A2CYP3A4CYP2D6BLMKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432228-B2 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2008-10-07 US disclosed
US-7098365-B2 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2006-08-29 US disclosed
US-20060148650-A1 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2006-07-06 US disclosed
US-20050014651-A1 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2005-01-20 US disclosed
EP-1439165-A1 ABSCISIC ACID BIOSYNTHESIS INHIBITOR Riken (JP) 2004-07-21 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 (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-20060148650-A1 Inhibitor against biosynthesis of abscisic acid COASY, BLVRB, ME1 CYP1A2 956/4885CYP3A4 3237/4885CYP2D6 2938/4885
US-20050014651-A1 Abscisic acid biosynthesis inhibitor COASY, BLVRB, ME1 CYP1A2 1002/4885CYP3A4 3355/4885CYP2D6 2841/4885

“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.