SCHEMBL3684567

SCHEMBL3684567

CCCCCCCCCCOc1cccc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.57
PLA2G4B P0C869 3/20 0.54
THRB P10828 2/20 0.53
THRA P10827 1/20 0.53
KMT2A Q03164 1/20 0.51
NR1H4 Q96RI1 2/20 0.49
POLB P06746 1/20 0.47
PLA2G2A P14555 1/20 0.46
TSHR P16473 1/20 0.46
PTPN11 Q06124 1/20 0.46
ALOX12 P18054 1/20 0.45

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
SCHEMBL7289886 0.87 THRA (0.54) PLA2G4BTHRBTHRATSHR
SCHEMBL19750764 0.86 PLA2G2A (0.51) SMPD1PLA2G4BTHRBTHRAPLA2G2A
SCHEMBL14459972 0.86 RAB9A (0.47) KMT2ANR1H4POLBALOX12
SCHEMBL3683047 0.85 TP53 (0.57) PLA2G4BTHRBTHRATSHR
SCHEMBL3067042 0.82 RARB (0.60) PLA2G4BTHRBTHRATSHR
SCHEMBL7271786 0.82 TP53 (0.53) PLA2G4BTHRBTHRATSHR
SCHEMBL7280580 0.82 RARB (0.60) PLA2G4BTHRBTHRATSHR
SCHEMBL878923 0.81 HPGD (0.52) PLA2G4BTHRBTHRAKMT2APOLB
SCHEMBL17961074 0.79 SMPD1 (0.68) SMPD1PLA2G4BTHRBTHRAKMT2A
SCHEMBL17961053 0.79 SMPD1 (0.68) SMPD1PLA2G4BTHRBTHRAKMT2A

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 SMPD1 144/4885PLA2G4B 883/4885THRB 2099/4885

“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.