SCHEMBL9909341

SCHEMBL9909341

O=C(O)CCNCc1ccc(C(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
BACE1 P56817 2/20 0.46
FOLH1 Q04609 1/20 0.46
SLC6A11 P48066 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
BCHE P06276 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL2224632 0.84 MEN1 (0.64) FFAR1FFAR4FOLH1MEN1KMT2A
Hydrochloric Acid SCHEMBL7823186 0.82 MEN1 (0.61) FFAR1FFAR4FOLH1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27489178 0.82 MEN1 (0.61) FFAR1FFAR4FOLH1MEN1KMT2A
SCHEMBL3669498 0.80 ALDH1A1 (0.56) FFAR1FFAR4FOLH1MEN1KMT2A
SCHEMBL9110268 0.79 FFAR1 (0.45) FFAR1FFAR4FOLH1MMEACE
SCHEMBL9909384 0.79 S1PR1 (0.53) FFAR4MMEKDM4ES1PR1
SCHEMBL15942975 0.78 L3MBTL1 (0.55) FOLH1MEN1KMT2AALDH1A1S1PR1
SCHEMBL5939323 0.78 S1PR1 (0.64) FFAR1FFAR4HDAC1ALDH1A1S1PR1
SCHEMBL9909374 0.78 S1PR1 (0.66) FFAR1FFAR4FOLH1HDAC3HDAC1
SCHEMBL9909348 0.77 S1PR1 (0.55) FFAR1FOLH1ALDH1A1S1PR1

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-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 FFAR1 17/4885FFAR4 41/4885BACE1 1674/4885

“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.