SCHEMBL19958482

SCHEMBL19958482

CC(C)C(=O)/C=C/c1nccn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.38
FDPS P14324 2/20 0.37
LPO P22079 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1756847 0.81 TBXAS1 (0.40) PTP4A3FDPSLPOCYP2D6L3MBTL1
SCHEMBL7171507 0.81 PTP4A3 (0.38) PTP4A3FDPSLPOSMN1; SMN2KDM4E
SCHEMBL7171508 0.81 PTP4A3 (0.38) PTP4A3FDPSLPOSMN1; SMN2KDM4E
SCHEMBL1756842 0.81 TBXAS1 (0.40) PTP4A3FDPSLPOCYP2D6L3MBTL1
SCHEMBL16532700 0.80 ALDH1A1 (0.40) PTP4A3FDPSSMN1; SMN2SMYD3ALDH1A1
SCHEMBL19890620 0.79 PTP4A3 (0.37) PTP4A3FDPSLPOSMN1; SMN2ALDH1A1
SCHEMBL16532719 0.79 PTP4A3 (0.37) PTP4A3FDPSLPOSMN1; SMN2KDM4E
SCHEMBL24149775 0.77 PTP4A3 (0.35) PTP4A3FDPSLPOCHRNB2CHRNA4
SCHEMBL16854062 0.77 CCNC (0.40) PTP4A3FDPSLPOSMN1; SMN2CYP2D6
SCHEMBL16850496 0.77 KMT2A (0.36) PTP4A3FDPSLPOSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 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 (6 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 PTP4A3 2093/4885FDPS 887/4885LPO 4394/4885

“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.