SCHEMBL3399635

SCHEMBL3399635

O=C(O)CCC(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.49
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 3/20 0.40

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
SCHEMBL8080069 0.86 KIF11 (0.51) KEAP1KIF11
SCHEMBL9642483 0.83 CYP2C19 (0.44) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL3185224 0.79 CPA3 (0.47) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL27346917 0.78 CPA3 (0.46) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL27348269 0.78 CPA3 (0.46) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL8659893 0.78 TRPA1 (0.37) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL8086291 0.76 KIF11 (0.34) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL10770500 0.76 MEN1 (0.38) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL8660267 0.73 THRB (0.34) CYP2C19ALDH1A1CYP1A2KDM4EKIF11
SCHEMBL10776485 0.73 CPA3 (0.45) CPA3CYP2C19ALDH1A1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129800-A1 POLYMERS AND THEIR USE AS FLUORESCENT LABELS AYMAMI BOFARULL JUAN 2010-05-27 US disclosed
WO-2009007397-A1 NEW POLYMERS AND THEIR USE AS FLUORESCENT LABELS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO disclosed
EP-2014698-A1 Polymers and their use as fluorescent labels Crystax Pharmaceuticals S.L. (ES) 2009-01-14 EP 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-20100129800-A1 POLYMERS AND THEIR USE AS FLUORESCENT LABELS CBR3, H1-0, H1-3 CPA3 2185/4885CYP2C19 2908/4885ALDH1A1 1602/4885

“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.