SCHEMBL3684043

SCHEMBL3684043

CCOc1ccc(OCc2ccc(C(=O)ON3C(=O)CCC3=O)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.61
RAB9A P51151 13/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
POLB P06746 4/20 0.61
MAPK1 P28482 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 5/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
TSHR P16473 3/20 0.59
KMT2A Q03164 4/20 0.58
HSP90AA1 P07900 2/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL3680687 0.87 NPC1 (0.67) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL3692613 0.82 KMT2A (0.60) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL12086394 0.78 LMNA (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL3692330 0.76 NPC1 (0.72) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL26742181 0.76 KMT2A (0.38) RAB9ASMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL3685840 0.76 ALOX5 (0.43) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL3676358 0.75 MAPT (0.60) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL979643 0.73 PRSS1 (0.40) SMN1; SMN2TDP1MAPTALDH1A1TSHR
SCHEMBL11955693 0.72 LMNA (0.54) NPC1POLBL3MBTL1TDP1MAPT
SCHEMBL5320126 0.72 NPC1 (0.74) NPC1RAB9ASMN1; SMN2POLBMAPK1

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 NPC1 70/4885RAB9A 3687/4885SMN1; SMN2 1205/4885

“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.