SCHEMBL16681663

SCHEMBL16681663

CC(C)C(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
FFAR1 O14842 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
SLC6A3 Q01959 2/20 0.38
GSK3B P49841 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL24337482 0.87 POLB (0.42) KDM4EDBHGAARECQLFFAR1
SCHEMBL13050414 0.86 SLC6A3 (0.46) KDM4EDBHGAARECQLFFAR1
SCHEMBL26473847 0.86 GPR139 (0.44) KDM4EDBHGAARECQLFFAR1
SCHEMBL26873642 0.82 NOTUM (0.54) KDM4EDBHGAARECQLALDH1A1
SCHEMBL9962964 0.82 GAA (0.56) KDM4EDBHGAARECQLFFAR1
SCHEMBL19958378 0.81 NOTUM (0.61) KDM4EDBHGAARECQLGSK3B
SCHEMBL20646887 0.81 GAA (0.37) KDM4EDBHGAARECQLFFAR1
SCHEMBL29475436 0.81 GSK3B (0.42) KDM4EDBHGAARECQLGABRA1
SCHEMBL24337483 0.81 GSK3B (0.42) KDM4EDBHGAARECQLGABRA1
SCHEMBL3125040 0.79 CHRNA1 (0.59) KDM4EDBHGAARECQLSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759453-B2 SHMT inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-09-19 US disclosed
US-11759453-B2 SHMT inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-09-19 US disclosed
US-20180117010-A1 SHMT Inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY 2018-05-03 US disclosed
US-9480259-B2 Pyrazolopyrans having herbicidal and pharmaceutical properties BASF SE (DE) 2016-11-01 US disclosed
US-9480259-B2 Pyrazolopyrans having herbicidal and pharmaceutical properties BASF SE (DE) 2016-11-01 US disclosed
US-9480259-B2 Pyrazolopyrans having herbicidal and pharmaceutical properties BASF SE (DE) 2016-11-01 US disclosed
WO-2016145252-A1 SHMT INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 WO disclosed
WO-2016145252-A1 SHMT INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-09-15 WO disclosed
US-20150126371-A1 PYRAZOLOPYRANS HAVING HERBICIDAL AND PHARMACEUTICAL PROPERTIES BASF SE (DE) 2015-05-07 US disclosed
US-20150126371-A1 PYRAZOLOPYRANS HAVING HERBICIDAL AND PHARMACEUTICAL PROPERTIES BASF SE (DE) 2015-05-07 US disclosed
US-20150126371-A1 PYRAZOLOPYRANS HAVING HERBICIDAL AND PHARMACEUTICAL PROPERTIES BASF SE (DE) 2015-05-07 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 (3 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-11759453-B2 SHMT inhibitors SHMT1, SHMT2, BHMT KDM4E 229/4885DBH 387/4885GAA 2727/4885
US-20150126371-A1 PYRAZOLOPYRANS HAVING HERBICIDAL AND PHARMACEUTICAL PROPERTIES SHMT1, TPST2, SHMT2 KDM4E 2260/4885DBH 1910/4885GAA 685/4885
US-20180117010-A1 SHMT Inhibitors SHMT1, SHMT2, BHMT KDM4E 978/4885DBH 3712/4885GAA 3628/4885

“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.