SCHEMBL12401880

SCHEMBL12401880

ClCCCc1ccc(OCOc2ccc(CCCCl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 5/20 0.41
FFAR1 O14842 2/20 0.41
MAOB P27338 2/20 0.40
CALM1 P0DP23 1/20 0.39
BCHE P06276 3/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38

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
SCHEMBL6298481 0.84 FFAR1 (0.42) LTA4HEPHX2HRH3FFAR1CALM1
SCHEMBL28709923 0.83 MAOB (0.40) MAOBALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL1796734 0.80 CALM1 (0.62) MAOBCALM1
SCHEMBL12401879 0.80 LTA4H (0.65) LTA4HEPHX2HRH3FFAR1CALM1
SCHEMBL8418525 0.78 ALDH1A1 (0.47) FFAR1BCHEMEN1USP2ALDH1A1
SCHEMBL6191729 0.78 LTA4H (0.72) LTA4HEPHX2FFAR1MAOBBCHE
SCHEMBL5579005 0.77 FFAR1 (0.55) LTA4HEPHX2FFAR1
Methylamine SCHEMBL9740790 0.77 TAAR1 (0.59) MAOBCALM1ALDH1A1LMNASMN1; SMN2
SCHEMBL11474319 0.77 TAAR1 (0.39) HRH3FFAR1MAOBCALM1
SCHEMBL9553437 0.77 CYP3A4 (0.56) HRH3MEN1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M LTA4H 3118/4885EPHX2 1713/4885HRH3 408/4885

“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.