SCHEMBL4130033

SCHEMBL4130033

O=C([CH]c1cccc2ccccc12)Nc1cc2ccccc2cc1OCC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BACE1 P56817 1/20 0.41
RAB9A P51151 3/20 0.41
SENP1 Q9P0U3 1/20 0.38
CHAT P28329 1/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL4134572 0.83 MRGPRX4 (0.46) NPC1POLBMEN1KMT2ARAB9A
SCHEMBL4131076 0.77 CMA1 (0.53) NPC1POLBMEN1KMT2ARAB9A
SCHEMBL998867 0.77 CMA1 (0.53) NPC1POLBMEN1KMT2ARAB9A
SCHEMBL1158047 0.71 KDM4E (0.50) NPC1POLBMEN1KMT2AMAPT
SCHEMBL1158049 0.71 KDM4E (0.50) NPC1POLBMEN1KMT2AMAPT
SCHEMBL4131792 0.70 SENP1 (0.50) KMT2AHDAC8HDAC6SENP1MAPT
SCHEMBL2524447 0.69 ALDH1A1 (0.52) NPC1POLBMEN1KMT2AMAPT
SCHEMBL8260949 0.69 ALDH1A1 (0.52) NPC1POLBMEN1KMT2AMAPT
SCHEMBL27752593 0.67 AOC3 (0.49) HDAC8HDAC6CHAT
SCHEMBL11109764 0.66 MAPT (0.60) NPC1POLBMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 NPC1 2241/4885POLB 1565/4885MEN1 381/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 NPC1 2241/4885POLB 1565/4885MEN1 381/4885

“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.