SCHEMBL4096578

SCHEMBL4096578

CC(C)(C)OC(=O)CCC(=O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HTR7 P34969 1/20 0.53
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PTPN1 P18031 1/20 0.46
GAA P10253 1/20 0.45
PLOD2 O00469 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CTNNB1 P35222 1/20 0.44
PAX8 Q06710 1/20 0.43

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
SCHEMBL13448038 0.85 KMT2A (0.58) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL29025694 0.85 PLOD2 (0.54) LMNANPC1RAB9AHTR7KMT2A
SCHEMBL2516124 0.83 NR4A2 (0.55) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL13304061 0.82 MMP1 (0.58) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL640759 0.81 LMNA (0.60) LMNANPC1RAB9AHTR7KMT2A
SCHEMBL12157882 0.80 PLOD2 (0.44) LMNAKMT2AMEN1L3MBTL1KDM4E
SCHEMBL13879559 0.80 LMNA (0.44) LMNANPC1RAB9AHTR7KMT2A
SCHEMBL26584242 0.80 NPC1 (0.82) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL13592983 0.79 LMNA (0.43) LMNANPC1RAB9AHTR7KMT2A
SCHEMBL8352922 0.78 L3MBTL1 (0.54) NPC1RAB9AKMT2AMEN1L3MBTL1

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 LMNA 1964/4885NPC1 341/4885RAB9A 3860/4885

“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.