SCHEMBL9902800

SCHEMBL9902800

CCC(CC)(OCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 3/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MCTS1 Q9ULC4 1/20 0.41
RIPK1 Q13546 2/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL29163261 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL5217774 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL5217767 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL22928892 0.78 SLC16A3 (0.37) ALDH1A1KMT2AMEN1MAPTSLC16A3
SCHEMBL3729766 0.77 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1MAPK1TDP1SLC6A3
SCHEMBL4130175 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL673676 0.77 HIF1A (0.44) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL11475913 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL883026 0.77 SLC16A3 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1TDP1
SCHEMBL27950900 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMAPTSMN1; SMN2

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
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 ALDH1A1 2446/4885L3MBTL1 1361/4885KMT2A 1289/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 ALDH1A1 2322/4885L3MBTL1 1388/4885KMT2A 1223/4885

“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.