SCHEMBL4015217

SCHEMBL4015217

O=C(O)CCc1ccccc1O.c1ccc2c(c1)Cc1ccc3ccccc3c1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
FFAR1 O14842 1/20 0.37
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
P2RX3 P56373 1/20 0.34
S1PR5 Q9H228 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL4021521 0.81 KMT2A (0.39) AKR1B1FFAR1KDM4EALDH1A1GLA
SCHEMBL5997602 0.79 MAOA (0.46) FFAR1MAOAMAOB
SCHEMBL303160 0.79 MAOA (0.55) NFKB1NFKB2RELAKDM4EALDH1A1
SCHEMBL7128255 0.71 AKR1B1 (0.65) AKR1B1FFAR1
SCHEMBL35529 0.71 AKR1B1 (0.65) AKR1B1FFAR1
SCHEMBL29373796 0.71 AKR1B1 (0.65) AKR1B1FFAR1
SCHEMBL27883628 0.70 MAOA (0.47) AKR1B1HPGDCYP2C19TDP1MAOA
Methane SCHEMBL1275762 0.70 AKR1B1 (0.63) AKR1B1FFAR1
SCHEMBL8946082 0.69 PTGER1 (0.46) FFAR1ALDH1A1HSD17B10TDP1FFAR4
SCHEMBL10378225 0.68 HSD17B10 (0.46) NFKB1NFKB2RELAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569516-B2 Compounds and methods for fluorescent labeling ELITECH HOLDING B.V. (NL) 2013-10-29 US disclosed
EP-1991705-A4 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES INC (US) 2009-07-01 EP disclosed
EP-1991705-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
WO-2007098336-A2 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20060204990-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-14 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-20060204990-A1 Compounds and methods for fluorescent labeling GLB1, HLCS, PFAS AKR1B1 4129/4885FFAR1 4570/4885NFKB1 3622/4885

“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.