SCHEMBL413532

SCHEMBL413532

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N(C)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
CA2 P00918 2/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
LDHA P00338 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL417155 0.90 LMNA (0.42) MAPTPOLBTP53ALDH1A1HPGD
SCHEMBL413150 0.86 POLB (0.41) POLBTSHRALDH1A1KDM4EMEN1
SCHEMBL412448 0.83 MAPT (0.39) MAPTPOLBTP53TSHRKDM4E
SCHEMBL417882 0.80 TSHR (0.44) MAPTPOLBTSHRALDH1A1KDM4E
SCHEMBL419649 0.76 ALDH1A1 (0.38) MAPTTSHRALDH1A1KDM4EHPGD
SCHEMBL412584 0.75 TSHR (0.40) MAPTPOLBNPC1TSHRALDH1A1
SCHEMBL418447 0.75 BIRC2 (0.41) MAPTPOLBTP53NPC1RAB9A
SCHEMBL413450 0.70 ACHE (0.47) MAPTALDH1A1CA2GAAMEN1
SCHEMBL17080132 0.67 LMNA (0.48) MAPTPOLBTP53NPC1RAB9A
SCHEMBL30786201 0.67 LMNA (0.48) MAPTPOLBTP53NPC1RAB9A

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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 (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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 MAPT 3216/4885POLB 444/4885TP53 3142/4885

“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.