SCHEMBL14707691

SCHEMBL14707691

c1ccc(-c2cccc(P(NP(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 3/20 0.39
HDAC8 Q9BY41 2/20 0.38
KMO O15229 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALOX5 P09917 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGXT P21549 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL14707690 0.78 ALDH1A1 (0.47) ALDH1A1MGLLALOX5CYP3A4TDP1
SCHEMBL4451573 0.78 CYP3A4 (0.55) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL321882 0.77 TDP1 (0.50) ALDH1A1CYP3A4TDP1CYP2C9ESR1
Hydrochloric Acid SCHEMBL5433165 0.76 CYP3A4 (0.52) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL27456368 0.76 CYP3A4 (0.60) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL9288104 0.75 TDP1 (0.47) ALDH1A1CYP3A4TDP1CYP2C9ESR1
SCHEMBL2606103 0.74 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL12621189 0.74 MGLL (0.50) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL14244857 0.74 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL31189334 0.74 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO

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-9139765-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-9139765-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-20130046094-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-02-21 US disclosed
US-20130046094-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-02-21 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 (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-20130046094-A1 ORGANIC ELECTROLUMINESCENT DEVICE PIEZO1, L1CAM, OR10J3 MAOA 482/4885ALDH1A1 131/4885MGLL 1829/4885

“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.