SCHEMBL9909372

SCHEMBL9909372

Cc1ccc(CC(c2cccc(Cl)c2)c2ccc(CNCCC(=O)O)cc2C)cc1C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.64
FOLH1 Q04609 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ADRB1 P08588 5/20 0.39
ADRB3 P13945 5/20 0.39
ADRB2 P07550 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL9909374 0.90 S1PR1 (0.66) S1PR1FOLH1HDAC3HDAC1HDAC2
SCHEMBL9909344 0.84 S1PR1 (0.66) S1PR1
SCHEMBL16506178 0.82 S1PR1 (0.78) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL16506665 0.82 S1PR1 (0.77) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL9112973 0.81 S1PR1 (0.56) S1PR1FOLH1HDAC3HDAC1HDAC2
SCHEMBL16468792 0.81 S1PR1 (0.73) S1PR1FOLH1HDAC3HDAC1HDAC2
SCHEMBL15193299 0.80 S1PR1 (0.69) S1PR1ADRB1ADRB3ADRB2
SCHEMBL9110982 0.80 S1PR1 (0.59) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL16719282 0.80 S1PR1 (0.57) S1PR1FOLH1FFAR1FFAR4LMNA
SCHEMBL15193302 0.80 S1PR1 (0.73) S1PR1ADRB1ADRB3ADRB2

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 S1PR1 1/4885FOLH1 2662/4885HDAC3 1572/4885

“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.