SCHEMBL2023734

SCHEMBL2023734

O=C1c2ccc(I)cc2CN1CC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.47
PER2 O15055 3/20 0.44
CRY2 Q49AN0 3/20 0.44
PRMT5 O14744 12/20 0.38
WDR77 Q9BQA1 12/20 0.38
TDP2 O95551 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL2019427 0.81 PRF1 (0.44) PRF1TDP2KDM4EALOX15TSHR
SCHEMBL2018210 0.78 PRF1 (0.46) PRF1TDP2KDM4EALOX15TSHR
SCHEMBL22226933 0.74 ADAM17 (0.37) PRMT5WDR77TDP2KDM4EALOX15
SCHEMBL2020810 0.73 PRF1 (0.68) PRF1PER2CRY2
SCHEMBL2016656 0.69 GRM5 (0.50) PRF1
SCHEMBL7966325 0.69 PER2 (0.42) PRF1PER2CRY2PRMT5WDR77
SCHEMBL24439282 0.69 PRF1 (0.36) PRF1PER2CRY2
SCHEMBL15795942 0.69 PRMT5 (0.50) PER2CRY2PRMT5WDR77
SCHEMBL1441245 0.68 CASP3 (0.43) PRF1TDP2
SCHEMBL20678234 0.68 KDM4E (0.38) KDM4EALOX15TSHRSIRT1

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 1/4885PER2 4766/4885CRY2 4862/4885

“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.