SCHEMBL6509897

SCHEMBL6509897

COC(=O)C(C)CC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
ESRRB O95718 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
NPC1 O15118 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2430956 0.87 ALDH1A1 (0.60) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL17992038 0.84 ALDH1A1 (0.57) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL29041154 0.84 KMT2A (1.00) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL28658680 0.84 KMT2A (0.74) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL26817889 0.83 KMT2A (0.59) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL13076771 0.83 ESRRB (0.57) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL11262738 0.83 KMT2A (0.50) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL135355 0.81 L3MBTL1 (0.66) KMT2AL3MBTL1SMN1; SMN2MAPTHPGD
SCHEMBL9751251 0.81 KMT2A (0.70) KMT2AESRRBL3MBTL1SMN1; SMN2MAPT
SCHEMBL4561514 0.81 ALDH1A1 (0.61) KMT2AESRRBSMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590056-B2 ERR modulators and uses thereof CITY OF HOPE (US) 2020-03-17 US disclosed
US-20180297923-A1 ERR MODULATORS AND USES THEREOF CITY OF HOPE 2018-10-18 US disclosed
WO-2005051380-A1 SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
WO-2005035497-A1 CASPASE INHIBITOR COMPRISING 2-ALKYL-4-OXOBUTANOYL GROUP AND PHARMACEUTICAL COMPOSITION THEREOF LG LIFE SCIENCES LTD. (KR) 2005-04-21 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 (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-20180297923-A1 ERR MODULATORS AND USES THEREOF ESRRA, ESRRB, ESRRG KMT2A 1958/4885ESRRB 2/4885L3MBTL1 3369/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG KMT2A 1958/4885ESRRB 2/4885L3MBTL1 3369/4885

“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.