SCHEMBL4086718

SCHEMBL4086718

COc1cc(Cl)ccc1OCCCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
S1PR4 O95977 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL13938554 0.87 PTGES (0.56) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL9876853 0.85 S1PR4 (0.45) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL6648626 0.84 PRSS1 (0.49) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL21595981 0.84 MAPT (0.50) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL10107391 0.81 L3MBTL1 (0.70) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL21596050 0.81 MAPT (0.59) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL21601506 0.81 L3MBTL4 (0.56) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL9799953 0.80 MAPT (0.61) MAPTL3MBTL1HPGDALDH1A1CYP2C19
SCHEMBL7279143 0.80 L3MBTL1 (0.49) MAPTL3MBTL1HPGDALDH1A1CYP2C9
SCHEMBL8791587 0.80 MAOB (0.50) MAPTL3MBTL1HPGDALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 WO 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL MAPT 1472/4885L3MBTL1 522/4885HPGD 4263/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 MAPT 2467/4885L3MBTL1 588/4885HPGD 2141/4885

“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.