SCHEMBL3691175

SCHEMBL3691175

CC(=O)OC(=O)C[C@H](C[N+](C)(C)C)NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ CTSG P08311 1/20 0.37
▸ CTRB1 P17538 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL3683758 0.89 ROCK2 (0.42) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL13409935 0.86 ALDH1A1 (0.51) ALDH1A1RAB9AHPGDL3MBTL1SMN1; SMN2
Acetic Acid SCHEMBL3691177 0.84 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDL3MBTL1SMN1; SMN2
Acetic Acid SCHEMBL3691173 0.84 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDL3MBTL1SMN1; SMN2
SCHEMBL3681917 0.83 NOX1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13409936 0.74 ROCK2 (0.47) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
Acetic Acid SCHEMBL3683761 0.73 ROCK2 (0.44) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
Acetic Acid SCHEMBL3683756 0.73 ROCK2 (0.44) ALDH1A1RAB9ASMN1; SMN2HTTNPC1
SCHEMBL14822898 0.73 ALDH1A1 (0.58) ALDH1A1RAB9AHPGDL3MBTL1SMN1; SMN2
SCHEMBL3692257 0.72 EPHX2 (0.40) ALDH1A1RAB9ASMN1; SMN2HTTNPC1

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 2 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

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 ALDH1A1 236/4885RAB9A 3687/4885HPGD 691/4885

“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.

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