SCHEMBL417455

SCHEMBL417455

COc1ccc(SCCCC(=O)N(C)Cc2cc(C)ccc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.40
RAB9A P51151 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL417990 0.90 LMNA (0.43) LMNATHRBNPC1KMT2AMEN1
SCHEMBL415868 0.89 NPC1 (0.50) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL415251 0.88 ALDH1A1 (0.42) ALDH1A1LMNAMAPTNPC1TP53
SCHEMBL414383 0.87 LMNA (0.47) ALDH1A1LMNAMAPTTHRBNPC1
SCHEMBL415188 0.87 ACHE (0.54) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL416400 0.84 LMNA (0.41) ALDH1A1LMNATHRBKMT2AMEN1
SCHEMBL415495 0.83 NPC1 (0.45) NPC1KMT2AMEN1BCHEACHE
SCHEMBL415213 0.83 KMT2A (0.43) ALDH1A1MAPTKMT2AMEN1
SCHEMBL417464 0.82 ALDH1A1 (0.40) ALDH1A1LMNAMAPTTHRBNPC1
SCHEMBL416610 0.82 NPC1 (0.45) ALDH1A1LMNANPC1KMT2AMEN1

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-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 ALDH1A1 455/4885LMNA 3529/4885MAPT 3216/4885

“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.