SCHEMBL414213

SCHEMBL414213

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N(C)c1cccc(F)c1.COc1ccc(SCCCC(=O)n2ccc3ccc(OC)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 4/20 0.33
ALOX5 P09917 1/20 0.32
THRB P10828 1/20 0.32
CCR3 P51677 1/20 0.32
CFTR P13569 1/20 0.31
MET P08581 1/20 0.31
GNRHR P30968 1/20 0.31
TFPI2 P48307 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR3C2 P08235 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL419649 0.87 ALDH1A1 (0.38) MAPTLMNATFPI2ALDH1A1PKM
SCHEMBL417155 0.82 LMNA (0.42) POLBTP53MAPTLMNAALDH1A1
SCHEMBL413150 0.81 POLB (0.41) POLBSMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL413532 0.79 MAPT (0.45) POLBTP53MAPTNPC1RAB9A
SCHEMBL417274 0.76 ALDH1A1 (0.46) NPC1RAB9ALMNATHRBTFPI2
SCHEMBL2486849 0.72 TP53 (0.32) POLBTP53MAPTSMN1; SMN2LMNA
SCHEMBL2486807 0.71 HTR2C (0.31) TP53MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL412448 0.70 MAPT (0.39) POLBTP53MAPTSMN1; SMN2LMNA
SCHEMBL418447 0.68 BIRC2 (0.41) POLBTP53MAPTNPC1RAB9A
SCHEMBL2484791 0.66 MAPT (0.41) POLBTP53MAPTNPC1RAB9A

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 1 patent. 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

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 POLB 444/4885TP53 3142/4885MAPT 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.