SCHEMBL3680728

SCHEMBL3680728

CCCCCCCCCCc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.50
THRB P10828 9/20 0.50
RARB P10826 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
PLA2G1B P04054 3/20 0.47
ATG4B Q9Y4P1 3/20 0.47
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13825789 0.86 CYP4A11 (0.41) THRATHRBRARBMEN1KMT2A
SCHEMBL17071632 0.84 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TDP1
SCHEMBL3683047 0.83 TP53 (0.57) THRATHRBRARB
SCHEMBL13604062 0.82 THRA (0.48) THRATHRBRARBMEN1KMT2A
SCHEMBL878923 0.81 HPGD (0.52) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL7280580 0.80 RARB (0.60) THRATHRBRARB
SCHEMBL18676418 0.79 THRA (0.38) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL11033648 0.79 GSK3A (0.49) ALDH1A1MAPT
SCHEMBL300884 0.79 CA12 (0.42) THRBMEN1KMT2AALDH1A1MAPT
SCHEMBL9743869 0.78 HPGD (0.38) MEN1KMT2AALDH1A1

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 THRA 2973/4885THRB 2099/4885RARB 2887/4885

“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.