SCHEMBL1672444

SCHEMBL1672444

O=C(O)CCCCCOc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
TSHR P16473 1/20 0.40
S1PR3 Q99500 1/20 0.39
LTB4R Q15722 6/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PPARA Q07869 3/20 0.38
CNR2 P34972 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
ALDH1A1 P00352 2/20 0.37
FABP4 P15090 1/20 0.36
ACSL1 P33121 1/20 0.36
ACSL6 Q9UKU0 1/20 0.36
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FABP1 P07148 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL16521954 0.84 CNR1 (0.39) TSHRCNR2ALDH1A1
SCHEMBL4782366 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL31187734 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL4783019 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL4778946 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL4783640 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL31187743 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL31187737 0.84 S1PR3 (0.49) S1PR3CNR2ALDH1A1
SCHEMBL592602 0.83 S1PR3 (0.51) S1PR3CNR2ALDH1A1
SCHEMBL10598677 0.83 S1PR3 (0.48) S1PR3CNR2ALDH1A1

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-8658434-B2 Fluorescent pyrene compounds BIOTIUM, INC. (US) 2014-02-25 US disclosed
US-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS BIOTIUM, INC. (US) 2011-04-28 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-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS PAH, CYP1A1, PYCR1 ALB 3871/4885TSHR 4193/4885S1PR3 2540/4885

“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.