SCHEMBL3683009

SCHEMBL3683009

CCCOc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
PLK1 P53350 1/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.46
THRB P10828 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL878923 0.94 HPGD (0.52) SMN1; SMN2MAPK1MAPTALDH1A1THRB
SCHEMBL3683047 0.91 TP53 (0.57) SMN1; SMN2THRBTSHRLMNA
SCHEMBL12086394 0.88 LMNA (0.54) SMN1; SMN2L3MBTL1PLK1MAPTALDH1A1
SCHEMBL7272065 0.88 RARB (0.55) SMN1; SMN2MAPK1MAPTALDH1A1TSHR
SCHEMBL7271786 0.87 TP53 (0.53) SMN1; SMN2THRBTSHRLMNA
SCHEMBL7280580 0.87 RARB (0.60) SMN1; SMN2THRBTSHRLMNA
SCHEMBL3067042 0.87 RARB (0.60) SMN1; SMN2THRBTSHRLMNA
SCHEMBL21110476 0.86 KMT2A (0.42) SMN1; SMN2MAPK1L3MBTL1PLK1MAPT
SCHEMBL14755860 0.83 MAPK1 (0.46) SMN1; SMN2MAPK1L3MBTL1PLK1MAPT
SCHEMBL300884 0.81 CA12 (0.42) SMN1; SMN2MAPK1MAPTALDH1A1THRB

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 SMN1; SMN2 1205/4885MAPK1 2587/4885L3MBTL1 2733/4885

“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.