SCHEMBL3685840

SCHEMBL3685840

O=C(ON1C(=O)CCC1=O)c1ccc(COCc2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGER2 P43116 3/20 0.42
ALDH1A1 P00352 4/20 0.40
DAO P14920 1/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.38
PTGDR Q13258 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL979643 0.85 PRSS1 (0.40) ALDH1A1DAOPKMSMN1; SMN2TSHR
SCHEMBL3689149 0.81 LMNA (0.41) ALDH1A1PKMSMN1; SMN2TSHRKMT2A
SCHEMBL26742181 0.78 KMT2A (0.38) ALDH1A1SMN1; SMN2TSHRKMT2AMGLL
SCHEMBL3676358 0.77 MAPT (0.60) ALDH1A1DAOPKMSMN1; SMN2TSHR
SCHEMBL3684043 0.76 NPC1 (0.61) ALDH1A1SMN1; SMN2TSHRKMT2ANPC1
SCHEMBL3674345 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL3692613 0.75 KMT2A (0.60) ALDH1A1PKMSMN1; SMN2TSHRKMT2A
SCHEMBL9797698 0.74 GRM5 (0.46) ALDH1A1PKMTSHRKMT2AMGLL
SCHEMBL3680687 0.73 NPC1 (0.67) PTGER2ALDH1A1SMN1; SMN2KMT2APTGDR
SCHEMBL3688463 0.72 HTT (0.61) ALDH1A1SMN1; SMN2TSHRKMT2AMGLL

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 ALOX5 773/4885PTGER2 2882/4885ALDH1A1 236/4885

“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.