SCHEMBL2018172

SCHEMBL2018172

O=Cc1ccc(-c2ccc(C(=O)NCCCO)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 6/20 0.63
POLB P06746 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPK14 Q16539 2/20 0.43
ACKR3 P25106 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
APP P05067 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL2021463 0.92 PRF1 (0.61) PRF1POLBMKNK1MKNK2APP
SCHEMBL2045506 0.81 PRF1 (0.68) PRF1MAPK14ALDH1A1
SCHEMBL2020700 0.80 PRF1 (0.66) PRF1APPALDH1A1
SCHEMBL2018299 0.79 PRF1 (0.60) PRF1MKNK1MKNK2APPALDH1A1
SCHEMBL2037186 0.78 PRF1 (1.00) PRF1
SCHEMBL2037184 0.78 PRF1 (1.00) PRF1
SCHEMBL12633394 0.78 PRF1 (1.00) PRF1
SCHEMBL2017235 0.78 PRF1 (0.65) PRF1APP
SCHEMBL2016347 0.77 CD274 (0.64) PRF1POLBALDH1A1
SCHEMBL9717433 0.76 POLB (0.68) POLBMAPK14ALDH1A1

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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 WO 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885POLB 1182/4885MKNK1 4399/4885

“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.