SCHEMBL417155

SCHEMBL417155

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N(C)c1cccc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B2 P37059 4/20 0.37
HSD17B1 P14061 2/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL413150 0.91 POLB (0.41) LMNAALDH1A1POLB
SCHEMBL413532 0.90 MAPT (0.45) GAAALDH1A1HPGDTP53POLB
SCHEMBL412448 0.83 MAPT (0.39) LMNAHPGDTP53POLBMAPT
SCHEMBL417882 0.78 TSHR (0.44) LMNAALDH1A1HPGDPOLBMAPT
SCHEMBL419649 0.74 ALDH1A1 (0.38) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL412584 0.73 TSHR (0.40) LMNAGAAALDH1A1HPGDPOLB
SCHEMBL418447 0.73 BIRC2 (0.41) ALDH1A1TP53POLBMAPT
SCHEMBL28746510 0.71 MTNR1A (0.57) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL413450 0.70 ACHE (0.47) GAAALDH1A1MAPT
SCHEMBL20278104 0.69 MTNR1A (0.57) MTNR1AMTNR1BHSD17B2HSD17B1

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 LMNA 3529/4885MTNR1A 3900/4885MTNR1B 3781/4885

“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.