SCHEMBL17064150

SCHEMBL17064150

CCCCCCC1(C)OC(=O)CC(=O)O1.Ic1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.44
MMP9 P14780 5/20 0.44
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
PTPN1 P18031 4/20 0.36
ACP1 P24666 3/20 0.36
CDC25B P30305 3/20 0.36
MMP3 P08254 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
POLB P06746 3/20 0.35
PRKCA P17252 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL17064162 0.81 SIRT2 (0.44) KMT2AMEN1MAPTPTPN1ACP1
SCHEMBL17064159 0.78 SMN1; SMN2 (0.36) MMP2MMP9KMT2AMEN1MAPT
SCHEMBL17064143 0.78 NPC1 (0.38) KMT2AMEN1MAPTPOLBRECQL
SCHEMBL17064154 0.77 MMP2 (0.38) MMP2MMP9KMT2AMAPTPTPN1
SCHEMBL21428296 0.74 KMT2A (0.41) KMT2AMEN1MAPTPTPN1ACP1
SCHEMBL17064155 0.71 SMN1; SMN2 (0.50) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL17064149 0.71 SMN1; SMN2 (0.46) KMT2AKDM4ETDP1ALDH1A1HPGD
SCHEMBL17064140 0.70 SMN1; SMN2 (0.49) KDM4ENPSR1TDP1ALDH1A1HPGD
SCHEMBL11005871 0.68 ALDH1A1 (0.39) MMP2MMP9KMT2AMEN1MAPT
SCHEMBL11005383 0.68 ALDH1A1 (0.39) MMP2MMP9KMT2AMEN1MAPT

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
EP-3114117-B1 IODINE(III)-MEDIATED RADIOFLUORINATION MASSACHUSETTS GEN HOSPITAL (US) 2019-10-02 EP disclosed
US-9957231-B2 Iodine(II)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2018-05-01 US disclosed
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 US disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 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 (2 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-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 MMP2 3018/4885MMP9 4059/4885KMT2A 1626/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 MMP2 3018/4885MMP9 4059/4885KMT2A 1626/4885

“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.