SCHEMBL13627037

SCHEMBL13627037

c1ccc(-c2ccccc2Op2c3ccc4ccccc4c3c3c4ccccc4ccc32)c(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
PAX8 Q06710 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
PSMD14 O00487 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL14141475 0.86 AHR (0.34) AHR
SCHEMBL13357807 0.80 AHR (0.37) AHRMEN1MAPTKMT2AABCG2
SCHEMBL7026027 0.79 AHR (0.35) AHRMEN1MAPTKMT2ATP53
SCHEMBL13839616 0.77 MEN1 (0.47) AHRMEN1MAPTKMT2ATP53
SCHEMBL17280459 0.76 AHR (0.37) AHRMEN1MAPTKMT2ATP53
SCHEMBL13839470 0.76 AHR (0.37) AHRMEN1MAPTKMT2ACYP3A4
SCHEMBL13839496 0.76 L3MBTL1 (0.40) AHRMEN1MAPTKMT2AABCG2
SCHEMBL12850174 0.75 AHR (0.34) AHR
SCHEMBL19754861 0.75 AHR (0.36) AHRMEN1MAPTKMT2ACYP3A4
SCHEMBL4625191 0.74 ABCG2 (0.39) AHRMEN1MAPTKMT2ACYP3A4

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-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 AHR 605/4885MEN1 911/4885MAPT 4835/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 AHR 573/4885MEN1 290/4885MAPT 4083/4885

“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.